SCHEMBL10191576

SCHEMBL10191576

CC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
MAPK14 Q16539 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.48
RIPK2 O43353 1/20 0.48
LMNA P02545 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL31117124 0.83 HTT (0.72) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL406148 0.83 HTT (0.72) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL17365303 0.81 KMT2A (0.57) NPC1RAB9AHPGDSMN1; SMN2KMT2A
SCHEMBL15933265 0.81 HTT (0.69) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL18172083 0.81 RAB9A (0.60) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL24385178 0.79 RIPK2 (0.73) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL6052595 0.78 NOTUM (0.61) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL2296037 0.76 POLB (0.74) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL18412909 0.75 MAPT (0.44) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL10366454 0.75 KDM4E (0.57) SMN1; SMN2MAPTKMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885HPGD 2251/4885

“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.