SCHEMBL31428786

SCHEMBL31428786

Cc1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
HPGD P15428 6/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GRM5 P41594 1/20 0.40
GRM2 Q14416 1/20 0.40
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.39
SPR P35270 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL31428654 0.94 CCNC (0.43) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31428984 0.88 CCNC (0.43) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31428866 0.85 CCNC (0.58) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31428513 0.84 PDCD1 (0.53) HPGDKDM4EALDH1A1TSHRUSP2
SCHEMBL30163641 0.83 CCNC (0.54) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31428587 0.83 CCNC (0.42) CCNCCDK8HPGDALDH1A1TSHR
SCHEMBL24977216 0.82 CCNC (0.49) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31428501 0.82 CCNC (0.49) CCNCCDK8HPGDKDM4EALDH1A1
SCHEMBL31429061 0.80 CCNC (0.56) CCNCCDK8HPGDPDCD1CD274
SCHEMBL30163493 0.80 HPGD (0.41) HPGDKDM4EPDCD1CD274GRM5

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS CCNC 1310/4885CDK8 1499/4885HPGD 4233/4885

“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.