SCHEMBL22413175

SCHEMBL22413175

O=C(NCc1cccc(F)c1)Oc1cc(Cl)nc2c(C3CC3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.40
▸ DPP4 P27487 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ CCNT1 O60563 1/20 0.36

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
SCHEMBL22413305 0.91 MAPK1 (0.39) MAPK1
SCHEMBL22413072 0.84 KDR (0.39) SMN1; SMN2
SCHEMBL22413372 0.83 P2RY12 (0.40) NTRK1MAPK1P2RY12ALDH1A1HSD17B10
SCHEMBL22413319 0.81 PDPK1 (0.39) SMN1; SMN2
SCHEMBL22413144 0.80 KCNN3 (0.48) NTRK1CCNT1
SCHEMBL23530583 0.80 KLKB1 (0.43) —
SCHEMBL23530871 0.79 RAB9A (0.39) MAPK1KDM4ESMN1; SMN2
SCHEMBL23531003 0.79 KLKB1 (0.40) ALDH1A1KDM4E
SCHEMBL23531012 0.79 KLKB1 (0.34) MAPK1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL22413214 0.78 KDR (0.36) ALDH1A1HSD17B10LMNATSHRHKDC1

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
US-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE 2022-05-12 — — US disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 — — WO 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-20220144841-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS CDK7, CDK8, CDK3 NTRK1 3236/4885DPP4 2018/4885MAPK1 516/4885

“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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