SCHEMBL23948656

SCHEMBL23948656

CCCNCc1ccn(CC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
KCNH2 Q12809 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.30
GAA P10253 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL21322298 0.85 EPHX2 (0.38) EPHX2RAB9ANPC1KCNH2PDGFRB
SCHEMBL24613090 0.80 EPHX2 (0.64) EPHX2KCNH2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16373730 0.79 RAB9A (0.36) EPHX2RAB9ANPC1KCNH2SMN1; SMN2
SCHEMBL24613088 0.79 EPHX2 (0.35) EPHX2RAB9ANPC1KCNH2PDGFRB
SCHEMBL17788453 0.75 CASR (0.41) RAB9ANPC1KCNH2SMN1; SMN2POLB
SCHEMBL21945129 0.75 KCNH2 (0.37) RAB9ANPC1KCNH2SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6231685 0.72 ALDH1A1 (0.40) EPHX2RAB9ANPC1KCNH2SMN1; SMN2
SCHEMBL859959 0.72
Ammonia Solution, Strong SCHEMBL27718462 0.72 ALDH1A1 (0.40) EPHX2RAB9ANPC1KCNH2SMN1; SMN2
SCHEMBL4324417 0.71

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-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 EPHX2 3909/4885RAB9A 1946/4885NPC1 1887/4885

“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.