SCHEMBL6069976

SCHEMBL6069976

Clc1cccc(Nc2nccc(-c3ccnn3-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.59
CAMK2D Q13557 6/20 0.56
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
PRKCA P17252 1/20 0.55
PRKCD Q05655 1/20 0.55
CDK4 P11802 2/20 0.51
CDK1 P06493 2/20 0.51
SMG1 Q96Q15 2/20 0.51
EIF2AK2 P19525 2/20 0.50
KDR P35968 1/20 0.50
PLK1 P53350 1/20 0.49
CSNK2A1 P68400 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
NPC1 O15118 1/20 0.46
CCNT1 O60563 1/20 0.46
MAPT P10636 1/20 0.46
CCNB1 P14635 1/20 0.46

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
SCHEMBL6070538 0.84 PIK3CA (0.49) CDK2CAMK2DABL1BCRPRKCA
SCHEMBL6070069 0.81 CDK2 (0.53) CDK2ABL1BCRCDK4KDR
SCHEMBL6070155 0.77 CAMK2D (0.61) CDK2CAMK2DCDK4PIK3CGCCNT1
SCHEMBL6070191 0.77 CDK2 (0.48) CDK2CDK4KDRPLK1PIK3CA
SCHEMBL6070759 0.77 KCNH2 (0.45) CDK2CAMK2DABL1BCRCDK4
SCHEMBL6070167 0.77 SYK (0.51) CDK2CDK1
SCHEMBL6070820 0.77 SYK (0.44) CDK2SMG1CCNE1MTOR
SCHEMBL6070502 0.76 CAMK2D (0.46) CAMK2D
SCHEMBL5734023 0.75 ABL1 (0.64) CDK2CAMK2DABL1BCRPRKCA
SCHEMBL6390323 0.75 EIF2AK2 (0.53) CDK2CAMK2DABL1BCRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US claimed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US claimed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO claimed
US-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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 (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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 CDK2 190/4885CAMK2D 181/4885ABL1 1197/4885

“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.