SCHEMBL31428449

SCHEMBL31428449

O=C(c1ccc2nccc(-c3ccccc3-c3ccccc3)c2c1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
PDCD1 Q15116 2/20 0.48
CD274 Q9NZQ7 2/20 0.48
PLAUR Q03405 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CNR1 P21554 1/20 0.47
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL31429044 0.94 HPGD (0.50) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428870 0.92 HPGD (0.51) HPGDPDCD1CD274ALDH1A1TSHR
SCHEMBL31428678 0.89 HPGD (0.51) HPGDALDH1A1TSHRCNR1LMNA
SCHEMBL31428588 0.88 HPGD (0.52) HPGDPDCD1CD274ALDH1A1TSHR
SCHEMBL31429016 0.87 HTR2C (0.54) HPGDPLAURALDH1A1
SCHEMBL20732826 0.87 RIPK1 (0.50) HPGDCYP3A4
SCHEMBL31429043 0.85 NTRK1 (0.49) HPGD
SCHEMBL31428744 0.85 HPGD (0.53) HPGDPLAUR
SCHEMBL31428537 0.84 PDCD1 (0.52) HPGDPDCD1CD274PLAURALDH1A1
SCHEMBL31428741 0.83 CCNC (0.50) HPGDTSHRLMNA

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 HPGD 4233/4885PDCD1 1360/4885CD274 1903/4885

“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.