SCHEMBL15428720

SCHEMBL15428720

C#Cc1cccc(C)c1-n1nc(C)cc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL15428781 0.86 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL11326478 0.84 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL15428666 0.80 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL15428719 0.80 KMT2A (0.39) ALDH1A1KMT2AKDM4ETSHR
SCHEMBL15428763 0.79 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL3306993 0.77 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL15428712 0.77 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL15428700 0.75 LMNA (0.51) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL15428648 0.74 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1MEN1
SCHEMBL21874531 0.71 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1MEN1

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
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 1236/4885CYP1A2 575/4885CYP2C19 280/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ALDH1A1 1236/4885CYP1A2 575/4885CYP2C19 280/4885

“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.