SCHEMBL17221600

SCHEMBL17221600

NCc1ccc2c(N)nc(Cl)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.57
LOXL2 Q9Y4K0 2/20 0.43
LOX P28300 1/20 0.43
LOXL3 P58215 1/20 0.43
HSP90AB1 P08238 1/20 0.38
PNMT P11086 1/20 0.37
CYP2A6 P11509 1/20 0.37
CSNK2A1 P68400 4/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
TARS1 P26639 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL17232439 0.84 SMN1; SMN2 (0.44) ROCK1HSP90AB1CYP2A6NOS3NOS1
SCHEMBL17229334 0.80 TARS1 (0.39) ROCK1HSP90AB1PNMTTARS1
SCHEMBL7141013 0.79 ROCK1 (0.57) ROCK1LOXL2CYP2A6NOS3NOS1
SCHEMBL29787060 0.75 ROCK1 (0.53) ROCK1LOXL2LOXCYP2A6NOS3
SCHEMBL28583787 0.75 ROCK1 (0.53) ROCK1LOXL2LOXCYP2A6NOS3
SCHEMBL28187427 0.74 LMNA (0.44) CYP2A6TARS1
SCHEMBL29481418 0.73 ROCK1 (1.00) ROCK1LOXL2LOXLOXL3NOS3
SCHEMBL5735425 0.73 ROCK1 (1.00) ROCK1LOXL2LOXLOXL3NOS3
Hydrochloric Acid SCHEMBL5731184 0.71 ROCK1 (0.96) ROCK1LOXL2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29508477 0.71 ROCK1 (0.96) ROCK1LOXL2NOS3NOS1NOS2

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 8 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
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
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
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
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US 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 ROCK1 2334/4885LOXL2 3703/4885LOX 2395/4885

“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.