SCHEMBL17232479

SCHEMBL17232479

CCc1cc(C)c(N)nc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.44
▸ NOS2 P35228 4/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ HEXA P06865 3/20 0.37
▸ HEXB P07686 3/20 0.37
▸ DHFR P00374 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5650256 0.83 NOS3 (0.35) NOS3NOS2NOS1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL7507774 0.81 NOS3 (0.35) NOS3NOS2NOS1ALDH1A1HSD17B10
SCHEMBL10392532 0.79 NOS3 (0.39) NOS3NOS2NOS1DHFRALDH1A1
SCHEMBL17229300 0.78 NOS2 (0.42) NOS3NOS2NOS1ALDH1A1HSD17B10
SCHEMBL25649283 0.76 NOS3 (0.39) NOS3NOS2NOS1HEXAHEXB
SCHEMBL23937884 0.75 NOS3 (0.34) NOS3NOS2NOS1DHFRHSD17B10
SCHEMBL9753602 0.74 NOS3 (0.44) NOS3NOS2NOS1HEXAHEXB
SCHEMBL28292898 0.74 NOS3 (0.44) NOS3NOS2NOS1HEXAHEXB
SCHEMBL27454384 0.72 CYP3A4 (0.43) NOS3NOS2NOS1ALDH1A1KDM4E
SCHEMBL2472952 0.71 LMNA (0.39) NOS3NOS2NOS1DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 — — WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 — — 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH NOS3 3599/4885NOS2 4129/4885NOS1 4104/4885

“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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