SCHEMBL14318698

SCHEMBL14318698

CSC1=NC(C)C(C2OC(C)O2)=C(c2cccc(Cl)c2)N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.35
▸ GSK3B P49841 1/20 0.32
▸ CHRM1 P11229 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NOTUM Q6P988 2/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL14282777 0.71 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL14318699 0.64 KDM4E (0.41) IDO1TP53
SCHEMBL8250249 0.60 PTGS1 (0.57) NPC1TP53RAB9A
SCHEMBL6336691 0.57 SMN1; SMN2 (0.55) TSHRSMN1; SMN2
SCHEMBL10812713 0.56 DCUN1D1 (0.37) CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL817554 0.55 ALOX5 (0.65) PGRNOTUMIDO1NPC1TP53
SCHEMBL31222672 0.55 ALOX5 (0.65) PGRNOTUMIDO1NPC1TP53
SCHEMBL6500333 0.55 P2RX7 (0.44) IDO1TP53TSHR
SCHEMBL6500326 0.55 P2RX7 (0.44) IDO1TP53TSHR
SCHEMBL6500321 0.55 P2RX7 (0.44) IDO1TP53TSHR

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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 — — 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS PGR 1136/4885GSK3B 4202/4885CHRM1 1724/4885

“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.

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