SCHEMBL3327079

SCHEMBL3327079

Clc1nccc(-n2cncc2Br)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 4/20 0.44
TRPV1 Q8NER1 4/20 0.34
PTK2 Q05397 1/20 0.34
CDC7 O00311 7/20 0.33
CDK2 P24941 7/20 0.33
MAP3K14 Q99558 3/20 0.33
ROCK1 Q13464 2/20 0.31
RPS6KA4 O75676 1/20 0.31
SORD Q00796 1/20 0.30

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
SCHEMBL28850795 0.80 RPS6KA5 (0.44) RPS6KA5TRPV1PTK2CDC7CDK2
SCHEMBL3327820 0.71 PIK3CA (0.46) CDK2
SCHEMBL19100953 0.69 CDC7 (0.68) RPS6KA5CDC7CDK2
SCHEMBL3325800 0.68 RPS6KA5 (0.39) RPS6KA5TRPV1SORD
SCHEMBL17601089 0.68 RPS6KA5 (0.45) RPS6KA5TRPV1PTK2CDC7CDK2
SCHEMBL19100396 0.68 CDC7 (0.68) RPS6KA5PTK2CDC7CDK2MAP3K14
SCHEMBL8192197 0.67 CYP3A4 (0.59) RPS6KA5
SCHEMBL1613026 0.66 CDC7 (0.70) RPS6KA5TRPV1PTK2CDC7CDK2
SCHEMBL6039615 0.66 ROCK1 (0.68) RPS6KA5CDK2ROCK1
SCHEMBL19211560 0.66 KDR (0.52) RPS6KA5PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-20100130473-A1 COMPOUNDS HUMMERSONE MARC GEOFFREY 2010-05-27 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
US-7504397-B2 mTOR inhibitor compounds KUDOS PHARMACEUTICALS LTD. (GB) 2009-03-17 US disclosed
CN-101128440-A Hydrazinomethyl, hydrazonomethyl and 5-membered heterocyclic compounds as mTOR inhibitors and their use as anti-cancer agents KUDOS PHARM LTD (GB) 2008-02-20 CN disclosed
EP-1877388-A2 HYDRAZINOMETHYL, HYDRAZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS Kudos Pharmaceuticals Ltd (GB) 2008-01-16 EP disclosed
US-20060199804-A1 Compounds KUDOS PHARMACEUTICALS LTD (GB) 2006-09-07 US disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 WO disclosed
WO-2006090167-A2 HYDRAZINOMETHYL, HYDR ZONOMETHYL AND 5-MEMBERED HETEROCYLIC COMPOUNDS WHICH ACT AS MTOR INHIBITORS AND THEIR USE AS ANTI CANCER AGENTS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-08-31 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 (2 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-20060199804-A1 Compounds CA4, CA6, CYP2B6 RPS6KA5 2478/4885TRPV1 2522/4885PTK2 3657/4885
US-20100130473-A1 COMPOUNDS CA6, CYP2B6, CA4 RPS6KA5 1985/4885TRPV1 2461/4885PTK2 3814/4885

“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.