SCHEMBL32660944

SCHEMBL32660944

O=C(c1cc2n(n1)CCCCNC2)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
TSHR P16473 1/20 0.41
ESR2 Q92731 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MGLL Q99685 1/20 0.38
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
SPR P35270 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
SCHEMBL24535311 0.96 HPGD (0.42) HPGDTSHRESR2MEN1KMT2A
SCHEMBL24535306 0.88 HTR2A (0.42) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL24536073 0.81 HTR2A (0.41) HPGDSMN1; SMN2HTR2AHTR2CMGLL
SCHEMBL30793436 0.79 CHRNB2 (0.35) HPGDTSHRHTR2AHTR2CALDH1A1
SCHEMBL22831695 0.76 PDCD1 (0.36) TSHRPOLBBLM
SCHEMBL25336892 0.75 PDCD1 (0.33) TSHRHSD17B10
SCHEMBL30793264 0.75 POLB (0.40) POLB
SCHEMBL31460024 0.75 PIK3CB (0.35) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22887771 0.74 CHRNB2 (0.38)
SCHEMBL23653232 0.74 CXCR4 (0.36)

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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 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-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HPGD 2499/4885TSHR 1916/4885ESR2 2960/4885

“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.