SCHEMBL3517759

SCHEMBL3517759

CN1CCN(C(=O)c2cccc(Nc3nc(Cl)nc4c3SCC4)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.49
▸ CDK9 P50750 4/20 0.49
▸ CDK2 P24941 3/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ NTRK1 P04629 3/20 0.47
▸ SRC P12931 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ IGF1R P08069 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK6 Q00534 1/20 0.40

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
SCHEMBL13211477 0.84 HPGD (0.46) HPGD
SCHEMBL3938216 0.83 RHOA (0.46) CSNK2A1
SCHEMBL31083985 0.82 MAPK1 (0.49) SRCHPGDTSHR
SCHEMBL19624259 0.76 NFKB1 (0.51) CDK2CDK1CCNB1CCNA2HPGD
SCHEMBL31469077 0.76 SYK (0.41) CDK1IRAK4TSHRCSNK2A1
SCHEMBL375687 0.74 PDE4B (0.44) CSNK2A1
SCHEMBL18193200 0.69 EPHX2 (0.60) CCNT1CDK9CDK2CCNE1SRC
SCHEMBL589243 0.69 PLK4 (0.44) NTRK1CDK1PTK2
SCHEMBL264247 0.69 MAP3K7 (0.56) CCNT1CDK9CDK2CCNE1NTRK1
SCHEMBL15386530 0.68 EPHX2 (0.59) CCNT1CDK9CDK2CCNE1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 — — US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 — — US 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-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH CCNT1 702/4885CDK9 1670/4885CDK2 1089/4885

“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.

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