SCHEMBL6508763

SCHEMBL6508763

Cc1ccnc(NC2CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
CDK1 P06493 3/20 0.53
CDK4 P11802 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNA2 P20248 3/20 0.53
CCND1 P24385 3/20 0.53
CDK2 P24941 3/20 0.53
CCNA1 P78396 3/20 0.53
HRH3 Q9Y5N1 2/20 0.51
MKNK1 Q9BUB5 3/20 0.51
MAPK8 P45983 3/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
BRD4 O60885 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
MAPK1 P28482 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
MKNK2 Q9HBH9 1/20 0.43
CTSK P43235 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 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
SCHEMBL91469 0.88 CTSK (0.49) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL91478 0.85 CTSK (0.58) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL91484 0.83 CTSK (0.60) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL13693348 0.82 BRD4 (0.52) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL13524818 0.82 BRD4 (0.52) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL19477097 0.81 HRH3 (0.56) IKBKBCDK1CDK4CCNB1CCNA2
SCHEMBL24065221 0.81 CDK1 (0.54) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL18677322 0.81 CDK1 (0.54) CDK1CDK4CCNB1CCNA2CCND1
SCHEMBL15830033 0.81 MAPK1 (0.62) MKNK1MAPK8MAPK1HRH4MKNK2
SCHEMBL8303185 0.81 HRH3 (0.59) IKBKBCDK1CDK4CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164612-A9 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2024-05-30 WO disclosed
WO-2023164612-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 US disclosed
WO-2005037828-A1 NOVEL INHIBITORS OF DPP-IV, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2005-04-28 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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A IKBKB 1774/4885CDK1 133/4885CDK4 550/4885

“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.