SCHEMBL15428744

SCHEMBL15428744

CCc1ccccc1-n1nc(C)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 9/20 0.46
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
F10 P00742 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL15428676 0.85 ALDH1A1 (0.48) ALDH1A1HPGDLMNATSHRF10
SCHEMBL15428602 0.82 JAK2 (0.43) ALDH1A1HPGDLMNATSHRF10
SCHEMBL15428770 0.82 PDE4B (0.44) P2RY1ALDH1A1HPGDLMNATSHR
SCHEMBL15428588 0.82 ALDH1A1 (0.43) ALDH1A1HPGDLMNATSHRF10
SCHEMBL15428768 0.80 MAPK14 (0.44) P2RY1ALDH1A1HPGDTSHRL3MBTL1
SCHEMBL15428732 0.80 ALDH1A1 (0.41) ALDH1A1HPGDLMNATSHRF10
SCHEMBL15428778 0.80 ALDH1A1 (0.41) P2RY1ALDH1A1HPGDLMNATSHR
SCHEMBL15428713 0.79 KDM4E (0.63) ALDH1A1HPGDLMNATSHRF10
SCHEMBL15428762 0.79 KDM4E (0.46) ALDH1A1HPGDLMNATSHRF10
SCHEMBL4917993 0.78 P2RY1 (0.46) P2RY1ALDH1A1LMNA

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 5 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
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 P2RY1 798/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 P2RY1 798/4885ALDH1A1 1236/4885HPGD 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.