SCHEMBL1644353

SCHEMBL1644353

Nc1nc(Cl)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.68
HSP90AB1 P08238 8/20 0.68
KDM4E B2RXH2 4/20 0.68
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ADCY10 Q96PN6 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
ADORA2A P29274 3/20 0.47
ADORA1 P30542 3/20 0.47
ALOX5 P09917 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3452347 0.86 KDM4E (0.70) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL3951575 0.85 HSP90AB1 (0.72) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL14413753 0.85 HSP90AA1 (0.72) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL908398 0.82 MEN1 (0.52) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL13288410 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL3451558 0.81 HSP90AB1 (0.68) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL1643108 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EMEN1MAPT
SCHEMBL5511069 0.81 KDM4E (0.64) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL1643582 0.81 KDM4E (0.62) HSP90AA1HSP90AB1KDM4EALDH1A1HSD17B10
SCHEMBL717689 0.79 HSP90AA1 (0.70) HSP90AA1HSP90AB1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US claimed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP claimed
EP-1796673-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-06-20 EP claimed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO claimed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034473-A2 NOVEL PYRIMIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-20250122203-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. 2025-04-17 US disclosed
EP-4433485-A1 ADENOSINE RECEPTOR ANTAGONISTS Crossignal Therapeutics, Inc. (US) 2024-09-25 EP disclosed
US-12065444-B2 Substituted tetrazolo[1,5-a]pyrazines and tetrazolo[1,5-c]pyrimidines as adenosine receptor antagonists CROSSIGNAL THERAPEUTICS, INC. (US) 2024-08-20 US disclosed
CN-118317965-A Adenosine receptor antagonists 交信医药研发公司 2024-07-09 CN disclosed
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 WO disclosed
US-20230159541-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. 2023-05-25 US disclosed
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-04-18 US disclosed
EP-1562935-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS Bayer HealthCare AG (DE) 2005-08-17 EP disclosed
WO-2005035507-A2 4-AMINOPYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2005-04-21 WO disclosed
US-6815447-B2 6-N-(2-AMINO-PYRIMIDIN-4-YL)QUINOLINE-6-AMINE DERIVATIVES; ANALGESICS ASTRAZENECA AB (SE) 2004-11-09 US disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CHAUDHARI BIPINCHANDRA (US) 2004-03-25 US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS HSP90AA1 3866/4885HSP90AB1 3432/4885KDM4E 3484/4885
US-11629147-B2 Triazolo-pyrimidine compounds and uses thereof ADORA2A, ADORA3, ADORA2B HSP90AA1 2054/4885HSP90AB1 2055/4885KDM4E 4163/4885
US-20250122203-A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HSP90AA1 1760/4885HSP90AB1 2045/4885KDM4E 4625/4885
US-20230159541-A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HSP90AA1 1760/4885HSP90AB1 2045/4885KDM4E 4625/4885
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A HSP90AA1 3114/4885HSP90AB1 2932/4885KDM4E 4744/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885KDM4E 4124/4885
US-12065444-B2 Substituted tetrazolo[1,5-a]pyrazines and tetrazolo[1,5-c]pyrimidines as adenosine receptor antagonists ADORA2A, ADORA1, P2RX5 HSP90AA1 3908/4885HSP90AB1 4318/4885KDM4E 4132/4885

“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.