SCHEMBL31739713

SCHEMBL31739713

CC(=O)NCc1cc2n(n1)CCCNC2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
CXCR4 P61073 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALOX15 P16050 1/20 0.34
GRIA2 P42262 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GRM5 P41594 4/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL30793321 0.88 HTT (0.33) CXCR4PDCD1CD274KMT2A
SCHEMBL30793781 0.86 CXCR4 (0.31) CXCR4PDCD1CD274GRM5
SCHEMBL30793328 0.80 GRM5 (0.37) CXCR4PDCD1CD274GRM5
SCHEMBL31739519 0.80 CXCR4 (0.33) CXCR4PDCD1CD274
SCHEMBL30793898 0.80 MALT1 (0.37) MALT1GRIA2PDCD1CD274
SCHEMBL24536069 0.78 PDCD1 (0.36) CXCR4PDCD1CD274
SCHEMBL30793834 0.78 PDCD1 (0.31) PDCD1CD274
SCHEMBL24537276 0.77 MAP4K4 (0.37) CXCR4PDCD1CD274
SCHEMBL30793562 0.77 PDCD1 (0.34) CXCR4GRIA2PDCD1CD274GRM5
SCHEMBL30793751 0.77 KDM4E (0.34) PDCD1CD274KDM4E

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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 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-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS NPSR1 4583/4885MALT1 1339/4885CXCR4 1321/4885

“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.