SCHEMBL25136180

SCHEMBL25136180

Cc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)nc(-c2cncn2C)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.43
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CNR2 P34972 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL29182188 1.00 CD38 (0.43) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL30363954 1.00 CD38 (0.43) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL25474638 0.91 ALDH1A1 (0.47) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL30363822 0.88 CD38 (0.49) CD38
SCHEMBL25136495 0.88 CD38 (0.49) CD38
SCHEMBL29182179 0.88 CD38 (0.49) CD38
SCHEMBL25136297 0.87 ALDH1A1 (0.40) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL25136188 0.87 ALDH1A1 (0.40) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL29182201 0.87 ALDH1A1 (0.40) CD38NPC1RAB9AKDM4EALDH1A1
SCHEMBL25136296 0.86 TAS1R3 (0.42) CD38NPC1RAB9ACNR1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885NPC1 2619/4885RAB9A 3306/4885

“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.