SCHEMBL25599992

SCHEMBL25599992

C=CC(=O)Nc1cc2nc(N3CCCCC3)n(C)c2cc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.39
MAP3K7 O43318 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MCHR1 Q99705 1/20 0.36
CTSC P53634 9/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
BTK Q06187 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCL2A1 Q16548 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
FGFR4 P22455 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL25599189 0.89 UCHL3 (0.36) UCHL3MAP3K7MAPK1MAP2K1MCHR1
SCHEMBL25599226 0.86 BTK (0.43) UCHL3MCHR1CTSCCTSLCTSB
SCHEMBL25600235 0.84 CTSC (0.47) UCHL3CTSCCTSLCTSBCYP1A2
SCHEMBL25600034 0.84 UCHL3 (0.40) UCHL3MCHR1CTSCCTSLCTSB
SCHEMBL25600063 0.83 UCHL3 (0.39) UCHL3MCHR1CTSCCTSLCTSB
SCHEMBL25268845 0.79 CCNK (0.46) BTK
SCHEMBL25219297 0.79 CCNK (0.46) BTK
SCHEMBL25599717 0.79 BRPF1 (0.39) UCHL3CTSCCTSLCTSBCYP1A2
SCHEMBL25681855 0.79 BRPF1 (0.39) UCHL3CTSCCTSLCTSBCYP1A2
SCHEMBL25598176 0.78 SMN1; SMN2 (0.54) MAPK1MCHR1CYP2C19GLASMN1; SMN2

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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 UCHL3 4048/4885MAP3K7 194/4885MAPK1 646/4885

“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.