SCHEMBL13990481

SCHEMBL13990481

CC(C)(C)c1ccc(-n2cccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ GRN P28799 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ BRS3 P32247 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL19954279 0.83 LMNA (0.53) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL29696309 0.83 LMNA (0.53) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL21851483 0.82 LMNA (0.46) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL18216845 0.77 KDM4E (0.40) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL46317 0.77 KDM4E (0.58) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL31516755 0.77 KDM4E (0.58) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL3881135 0.77 KDM4E (0.77) LMNAKMT2AKDM4EALDH1A1RXFP1
SCHEMBL21423380 0.77 GRM5 (0.46) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL29594114 0.77 GRM5 (0.46) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL21849628 0.76 LMNA (0.40) LMNAKMT2AGRNSORT1KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2020-03-26 — — US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 — — US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-7456194-B2 Imidazo-fused oxazolo [4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 — — US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 — — 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 (9 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 LMNA 3446/4885KMT2A 2604/4885GRN 3322/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP LMNA 1845/4885KMT2A 2234/4885GRN 2285/4885
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 LMNA 3197/4885KMT2A 3432/4885GRN 4184/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 LMNA 3197/4885KMT2A 3432/4885GRN 4184/4885
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT LMNA 4315/4885KMT2A 510/4885GRN 2273/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP LMNA 1845/4885KMT2A 2234/4885GRN 2285/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT LMNA 4315/4885KMT2A 510/4885GRN 2273/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 LMNA 4194/4885KMT2A 1508/4885GRN 2450/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 LMNA 1922/4885KMT2A 52/4885GRN 2979/4885

“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.

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