SCHEMBL15428778

SCHEMBL15428778

Cc1cc(C(N)=O)n(-c2ccccc2C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
P2RY1 P47900 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
WNT3A P56704 1/20 0.40
C5AR1 P21730 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
F10 P00742 5/20 0.38
GAA P10253 1/20 0.38
ESRRA P11474 1/20 0.38
NTRK1 P04629 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL15428676 0.82 ALDH1A1 (0.48) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428602 0.80 JAK2 (0.43) ALDH1A1HPGDTSHRLMNAWNT3A
SCHEMBL15428770 0.80 PDE4B (0.44) ALDH1A1HPGDP2RY1TSHRLMNA
SCHEMBL15428744 0.80 P2RY1 (0.46) ALDH1A1HPGDP2RY1TSHRLMNA
SCHEMBL15428588 0.80 ALDH1A1 (0.43) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428779 0.78 CYP1A2 (0.56) ALDH1A1P2RY1LMNAWNT3AC5AR1
SCHEMBL15428768 0.78 MAPK14 (0.44) ALDH1A1HPGDP2RY1TSHRGAA
SCHEMBL15428732 0.78 ALDH1A1 (0.41) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428713 0.77 KDM4E (0.63) ALDH1A1HPGDTSHRLMNAF10
SCHEMBL15428762 0.77 KDM4E (0.46) ALDH1A1HPGDTSHRLMNAF10

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 ALDH1A1 1236/4885HPGD 2251/4885P2RY1 798/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885HPGD 2251/4885P2RY1 798/4885

“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.