SCHEMBL311676

SCHEMBL311676

Ic1c[nH]c2ncncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.45
CHEK1 O14757 1/20 0.44
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.39
PIM1 P11309 1/20 0.35
HASPIN Q8TF76 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
LATS1 O95835 1/20 0.34
NTRK1 P04629 4/20 0.33
AXL P30530 1/20 0.33
CDK8 P49336 1/20 0.33
TNIK Q9UKE5 1/20 0.33
KIT P10721 1/20 0.32
GSK3B P49841 1/20 0.32
TRPA1 O75762 1/20 0.31
PIK3CA P42336 1/20 0.31
MAP3K11 Q16584 1/20 0.31
JAK2 O60674 2/20 0.31
DYRK1A Q13627 2/20 0.31
PLK4 O00444 1/20 0.31

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
SCHEMBL2619224 0.75 RPS6KA5 (0.45) RPS6KA5PIM1TBK1LATS1NTRK1
SCHEMBL1085884 0.75 AXL (0.55) RPS6KA5MAPK1PIM1HASPINTBK1
SCHEMBL29598321 0.75 RPS6KA5 (0.45) RPS6KA5PIM1TBK1LATS1NTRK1
SCHEMBL14237884 0.75 RPS6KA5 (0.45) RPS6KA5TBK1LATS1NTRK1GSK3B
SCHEMBL21903027 0.75 RPS6KA5 (0.57) RPS6KA5CHEK1PIM1TBK1LATS1
SCHEMBL23571474 0.75 RPS6KA5 (0.45) RPS6KA5TBK1LATS1NTRK1GSK3B
SCHEMBL6502791 0.75 RPS6KA5 (0.45) RPS6KA5PIM1TBK1LATS1NTRK1
SCHEMBL3986884 0.72 RET (0.36) RPS6KA5CHEK1AURKACDK2PDPK1
SCHEMBL25404197 0.72 CLK1 (0.42) CHEK1MAPK1BRD4MAP3K11CDK2
SCHEMBL1093381 0.72 RPS6KA5 (0.43) RPS6KA5TBK1LATS1NTRK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-06-12 US disclosed
CN-118290428-A Preparation method of 5-ethyl-7H-pyrrolo [2,3-d ] pyrimidine 南京合巨药业有限公司 2024-07-05 CN disclosed
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors NOVARTIS INSTITUTE FOR FUNTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2023-06-22 US disclosed
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US disclosed
CN-115850268-A Pyrrolopyrimidines as CFTR potentiators 囊性纤维化基金会 2023-03-28 CN disclosed
WO-2022260336-A2 NUCLEOSIDE DERIVATIVE HAVING MULTI-TARGET KINASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER COMPRISING SAME 퓨쳐메디신 주식회사 2022-12-15 WO disclosed
EP-4069369-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-10-12 EP disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
CN-108137497-B Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-15 CN disclosed
CN-101180297-A Alkynyl pyrrolopyrimidines and related analogs as hsp90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2008-05-14 CN disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 EP disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
EP-1814883-A1 BICYCLIC INHIBITORS OR RHO KINASE Vertex Pharmaceuticals Incorporated (US) 2007-08-08 EP disclosed
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US disclosed
WO-2006058120-A1 BICYCLIC INHIBITORS OR RHO KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO 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 (7 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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION KMT5A, KMT5B, KMT5C RPS6KA5 1067/4885CHEK1 1887/4885MAPK1 1395/4885
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 RPS6KA5 205/4885CHEK1 70/4885MAPK1 150/4885
US-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA RPS6KA5 271/4885CHEK1 703/4885MAPK1 285/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 RPS6KA5 89/4885CHEK1 174/4885MAPK1 1174/4885
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors LATS1, LATS2, LSS RPS6KA5 871/4885CHEK1 3559/4885MAPK1 691/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 RPS6KA5 1934/4885CHEK1 1372/4885MAPK1 1148/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RPS6KA5 754/4885CHEK1 794/4885MAPK1 1181/4885

“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.