SCHEMBL12367075

SCHEMBL12367075

Cc1ccnc(NC2CCN(C)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.61
HRH4 Q9H3N8 5/20 0.58
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
CCND3 P30281 2/20 0.55
CDK6 Q00534 2/20 0.55
MAPK8 P45983 2/20 0.54
MAPK9 P45984 1/20 0.54
MAPK10 P53779 1/20 0.54
CDK2 P24941 4/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
CCNA2 P20248 3/20 0.53
CCNA1 P78396 3/20 0.53
RET P07949 1/20 0.53
KCNH2 Q12809 1/20 0.49
CCNE1 P24864 1/20 0.48
BRD4 O60885 1/20 0.48
ATAD2 Q6PL18 1/20 0.48
MAPK7 Q13164 1/20 0.44

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 0.87 CTSK (0.49) IKBKBHRH4CDK4CCND1MAPK8
SCHEMBL91478 0.83 CTSK (0.58) HRH4CDK4CCND1CCND3CDK6
SCHEMBL91484 0.82 CTSK (0.60) HRH4CDK4CCND1CCND3CDK6
SCHEMBL13779899 0.81 IKBKB (0.57) IKBKBHRH4CDK4CCND1CCND3
SCHEMBL91448 0.80 IKBKB (0.52) IKBKBHRH4CDK4CCND1CCND3
SCHEMBL13162840 0.80 KDM4E (0.60) IKBKBHRH4CDK4CCND1CCND3
SCHEMBL13779903 0.80 HRH4 (0.80) IKBKBHRH4CDK4CCND1MAPK8
SCHEMBL24065221 0.79 CDK1 (0.54) HRH4CDK4CCND1MAPK8MAPK9
SCHEMBL18677322 0.79 CDK1 (0.54) HRH4CDK4CCND1MAPK8MAPK9
SCHEMBL15830033 0.79 MAPK1 (0.62) HRH4MAPK8MAPK9MAPK10RET

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 4 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

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 1774/4885HRH4 1845/4885CDK4 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.