SCHEMBL15428748

SCHEMBL15428748

Cc1cc(N)n(-c2c(Br)cccc2Br)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APEX1 P27695 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL15428712 0.92 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15428609 0.89 ALDH1A1 (0.49) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11326478 0.81 CYP1A2 (0.59) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15428603 0.81 CYP1A2 (0.59) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL21874531 0.79 CYP1A2 (0.56) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15428648 0.79 CYP1A2 (0.56) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL18694492 0.76 ALDH1A1 (0.71) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL15428747 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL15428666 0.75 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL3306993 0.75 CYP1A2 (0.51) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; 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 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 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP1A2 575/4885CYP2C19 280/4885MAPK1 116/4885

“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.