SCHEMBL1648465

SCHEMBL1648465

O=C(Nc1cccnn1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
RAB9A P51151 8/20 0.57
NPC1 O15118 6/20 0.57
NAMPT P43490 2/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
HCAR3 P49019 1/20 0.50
PKM P14618 1/20 0.49
LRRK2 Q5S007 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL30533392 1.00 KMT2A (0.62) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL29238950 0.98 KMT2A (0.61) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL22322776 0.88 GAA (0.55) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL20333149 0.82 SIRT2 (0.49) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL3406753 0.81 SIRT2 (0.51) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL15348825 0.81 GOT1 (0.52) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL4601791 0.81 KMT2A (0.56) KMT2AMEN1SIRT2RAB9ANPC1
SCHEMBL29580683 0.79 NPC1 (0.53) SIRT2RAB9ANPC1PKMKDM4E
SCHEMBL29366822 0.78 RAB9A (0.89) KMT2AMEN1RAB9ANPC1HCAR3
SCHEMBL997866 0.78 RAB9A (0.89) KMT2AMEN1RAB9ANPC1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435957-A4 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMA (US) 2005-04-13 EP claimed
EP-1435957-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES Vertex Pharmaceuticals Incorporated (US) 2004-07-14 EP claimed
WO-2002088078-A2 INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 WO claimed
US-20240024314-A1 Methods of Treating Splenomegaly TELIOS PHARMA, INC. (US) 2024-01-25 US disclosed
CN-116606246-A Silver complex antibacterial agent with aromatic amide structure-containing nitrogen heterocyclic derivative as ligand, and preparation method and application thereof 烟台哈尔滨工程大学研究院 2023-08-18 CN disclosed
US-11642343-B2 Methods of treating splenomegaly TELIOS PHARMA, INC. (US) 2023-05-09 US disclosed
US-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT QUOGUE IP HOLDINGS LLC (US) 2022-12-08 US disclosed
US-20220184069-A1 METHODS OF TREATING SPLENOMEGALY TELIOS PHARMA, INC. (US) 2022-06-16 US disclosed
WO-2021146424-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS INCYTE CORPORATION (US) 2021-07-22 WO disclosed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed
WO-2014200882-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 WO disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
WO-2003010153-A1 N-ALKYL-N-PHENYLHYDROXYLAMINE COMPOUNDS CONTAINING METAL CHELATING GROUPS, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4411753-A Synthesis of 6-t-alkyl-3-pyridazinones ELI LILLY AND COMPANY (US) 1983-10-25 US disclosed
US-4398044-A Synthesis of acetyl-T-alkanes ELI LILLY AND COMPANY (US) 1983-08-09 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 (1 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-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT BTK, BCL9L, BCL9 KMT2A 491/4885MEN1 1861/4885SIRT2 1680/4885

“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.