SCHEMBL17229286

SCHEMBL17229286

CC(C)Cc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
NR4A2 P43354 1/20 0.42
ALOX5AP P20292 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AR P10275 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
SCHEMBL19067629 0.80 CYP1A2 (0.52) ALDH1A1NOS3NOS1NOS2CYP1A2
SCHEMBL13878246 0.79 NR4A2 (0.46) PDE10ANR4A2HTR3EHTR3BHTR3A
SCHEMBL3276372 0.77 NR4A2 (0.47) PDE10ANR4A2LMNAHTR3EHTR3B
SCHEMBL10401680 0.76 NR4A2 (0.43) PDE10ANR4A2ALDH1A1LMNAHTR3E
SCHEMBL14128956 0.76 PDE10A (0.49) PDE10ANR4A2LMNAHTR3EHTR3B
SCHEMBL203068 0.76 CCR1 (0.48) PDE10ANR4A2LMNAHTR3EHTR3B
SCHEMBL28887330 0.76 S1PR4 (0.49) PDE10ANR4A2LMNAHTR3EHTR3B
SCHEMBL4348088 0.76 LOXL2 (0.47) PDE10ANR4A2LMNAHTR3EHTR3B
SCHEMBL5690187 0.76 CYP1A2 (0.57) PDE10AALOX5APLMNACYP1A2
SCHEMBL29399169 0.76 CYP1A2 (0.57) PDE10AALOX5APLMNACYP1A2

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
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 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 PDE10A 1781/4885NR4A2 3971/4885ALOX5AP 2651/4885

“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.