SCHEMBL10191565

SCHEMBL10191565

CC(=O)c1cnoc1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.42
CYP17A1 P05093 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
IKBKB O14920 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
NR4A2 P43354 1/20 0.37
BRPF1 P55201 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MYC P01106 1/20 0.37
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL3181692 0.87 MYC (0.47) CSF1RNPC1RAB9AIKBKBNR1H4
SCHEMBL3170947 0.83 CSF1R (0.43) CSF1RNPC1RAB9ANR4A2MYC
SCHEMBL10246766 0.81 TSHR (0.50) NPC1RAB9ASMN1; SMN2TSHRCYP1A2
SCHEMBL5321410 0.78 HCRTR1 (0.46) NPC1RAB9ARXRARXRBRXRG
SCHEMBL21097057 0.77 NPC1 (0.45) NPC1RAB9ARXRARXRBRXRG
SCHEMBL15428736 0.76 LMNA (0.44) CSF1RNPC1RAB9AIKBKBSMN1; SMN2
SCHEMBL29087835 0.71 MYC (0.50) CSF1RCYP17A1BRPF1SMN1; SMN2MYC
SCHEMBL10191572 0.71 GPBAR1 (0.44) CYP17A1NPC1RAB9AIKBKBNR1H4
SCHEMBL22886813 0.71 L3MBTL1 (0.46) KMT2A
SCHEMBL335045 0.69

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 CSF1R 550/4885CYP17A1 1509/4885NPC1 2785/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CSF1R 550/4885CYP17A1 1509/4885NPC1 2785/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CSF1R 550/4885CYP17A1 1509/4885NPC1 2785/4885

“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.