SCHEMBL31428601

SCHEMBL31428601

Cc1cc(-c2ccnc3ccccc23)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
ACVR1 Q04771 1/20 0.45
NCF1 P14598 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
PDE4B Q07343 1/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL31428678 0.91 HPGD (0.51) KDM4EPKMHPGDALDH1A1TSHR
SCHEMBL31428699 0.87 HTR2C (0.53) KDM4EPKMHPGDALDH1A1TSHR
SCHEMBL31428810 0.86 HPGD (0.48) KDM4EPKMHPGDALDH1A1TSHR
SCHEMBL31429016 0.85 HTR2C (0.54) KDM4EHPGDALDH1A1
SCHEMBL31428513 0.84 PDCD1 (0.53) KDM4EPKMHPGDALDH1A1TSHR
SCHEMBL31428537 0.84 PDCD1 (0.52) KDM4EPKMHPGDALDH1A1TSHR
SCHEMBL31429044 0.83 HPGD (0.50) HPGDALDH1A1TSHRLMNACNR1
SCHEMBL31428749 0.83 ALDH1A1 (0.46) KDM4EHPGDALDH1A1TSHRUSP2
SCHEMBL31428449 0.83 HPGD (0.53) HPGDALDH1A1TSHRLMNACNR1
SCHEMBL24975622 0.82 MAPK10 (0.49) KDM4EPKMHPGDPDE4B

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 KDM4E 2663/4885PKM 4478/4885HPGD 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.