SCHEMBL12196880

SCHEMBL12196880

CC(C)c1cn2cccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.49
KDM4E B2RXH2 14/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 8/20 0.49
GAA P10253 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 10/20 0.49
HSD17B10 Q99714 5/20 0.49
GLA P06280 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
GFER P55789 1/20 0.42
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.40
RCE1 Q9Y256 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24983895 0.83 KDM4E (0.47) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL29651982 0.78 KDM4E (0.46) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL19514979 0.77 KDM4E (0.51) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL17788455 0.77 TP53 (0.42) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL21036730 0.76 SCN10A (0.41) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL16373611 0.76 KDM4E (0.44) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL29651998 0.76 KDM4E (0.44) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL22276485 0.75 KDM4E (0.52) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL13086589 0.75 KDM5B (0.32) ALDH1A1KMT2AMEN1
SCHEMBL3156629 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9ANPC1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-11-16 US disclosed
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-11-16 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230167093-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-06-01 US disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-05-25 US disclosed
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2012-10-18 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-7462625-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2008-12-09 US disclosed
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-09-06 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING RBM17, HNRNPA1, HNRNPAB ALDH1A1 1569/4885KDM4E 1854/4885RAB9A 2705/4885
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 ALDH1A1 3559/4885KDM4E 3046/4885RAB9A 3354/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 216/4885KDM4E 863/4885RAB9A 4560/4885
US-20120264739-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR KCNJ11, NISCH, CYP4Z1 ALDH1A1 337/4885KDM4E 4236/4885RAB9A 4795/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 ALDH1A1 1263/4885KDM4E 4664/4885RAB9A 391/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 ALDH1A1 4067/4885KDM4E 2474/4885RAB9A 1219/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 ALDH1A1 3041/4885KDM4E 646/4885RAB9A 3647/4885
US-20230167093-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 ALDH1A1 3559/4885KDM4E 3046/4885RAB9A 3354/4885
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 ALDH1A1 3247/4885KDM4E 2629/4885RAB9A 4097/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALDH1A1 159/4885KDM4E 2671/4885RAB9A 4316/4885
US-20070208049-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3443/4885KDM4E 1846/4885RAB9A 1093/4885
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 ALDH1A1 3905/4885KDM4E 1806/4885RAB9A 2240/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 ALDH1A1 1902/4885KDM4E 1450/4885RAB9A 1004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.