SCHEMBL15428658

SCHEMBL15428658

Cc1cc(C)cc(-n2nccc2N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 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
SCHEMBL15428751 0.83 POLB (0.61) POLBALDH1A1MAPTKDM4ENPC1
SCHEMBL1491115 0.82 POLB (0.64) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL17844032 0.78 POLB (0.46) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL15428758 0.76 POLB (0.57) POLBALDH1A1MAPTKDM4ENPC1
SCHEMBL406517 0.76 POLB (0.57) POLBKDM4ENPC1RAB9AKMT2A
SCHEMBL13858695 0.73 POLB (0.49) POLBALDH1A1MAPTKDM4ENPC1
SCHEMBL15428656 0.73 NR3C2 (0.39) POLBALDH1A1MAPTLMNACYP1A2
SCHEMBL433371 0.72 POLB (1.00) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL1491136 0.72 POLB (0.69) POLBALDH1A1MAPTKDM4ETSHR
SCHEMBL15882475 0.72 KDM4E (0.47) POLBALDH1A1KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107105657-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2017-08-29 CN disclosed
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 POLB 2697/4885ALDH1A1 1236/4885MAPT 4201/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 POLB 2697/4885ALDH1A1 1236/4885MAPT 4201/4885

“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.