SCHEMBL5822388

SCHEMBL5822388

Nc1n[nH]cc1-c1csc(C=O)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 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
SCHEMBL27570571 0.72 AR (0.47) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL13284002 0.66 CYP19A1 (0.56) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL13510366 0.66 HTR2B (0.55) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3193066 0.66 CYP19A1 (0.53) RAB9AKMT2AKDM4EALDH1A1MAPT
SCHEMBL27486008 0.66 CCNC (0.33) —
SCHEMBL13510369 0.64 CYP19A1 (0.41) MEN1RAB9AKMT2AKDM4EMAPT
SCHEMBL7003561 0.63 KDM4E (0.49) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1702959 0.63 — —
SCHEMBL1928655 0.62 SMN1; SMN2 (0.45) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL28453477 0.61 LCK (0.32) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MEN1 2653/4885RAB9A 3615/4885KMT2A 2890/4885

“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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