SCHEMBL6070786

SCHEMBL6070786

CSc1nccc(-c2ccn[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CCNA1 P78396 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPK10 P53779 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK1D P48730 2/20 0.38

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
SCHEMBL24251294 0.78 LMNA (0.47) LMNACCNT1CCNA2CDK2CDK9
SCHEMBL30931966 0.78 LMNA (0.47) LMNACCNT1CCNA2CDK2CDK9
SCHEMBL132285 0.75
Bromide SCHEMBL19459238 0.73 LTA4H (0.47) POLBPIM1COMTHPGDSJMJD6
SCHEMBL16877067 0.73 GSK3B (0.50) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL5361682 0.71 KDM4E (0.55) LMNACCNT1CCNA2CDK2CDK9
SCHEMBL28465820 0.71 HPGDS (0.56) POLBALDH1A1HPGDSSCN4APDPK1
SCHEMBL22999206 0.71 ATR (0.38) L3MBTL1KDM4EPIM1COMTHPGDS
SCHEMBL2963770 0.71 LMNA (0.47) LMNACCNT1CCNA2CDK2CDK9
SCHEMBL2965363 0.71 LMNA (0.47) LMNACCNT1CCNA2CDK2CDK9

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 3 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 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 LMNA 3409/4885CCNT1 1859/4885CCNA2 1425/4885

“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.