SCHEMBL15428592

SCHEMBL15428592

Cc1cc(N)n(-c2c(Cl)cccc2C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
GABRP O00591 3/20 0.42
GABRD O14764 3/20 0.42
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
GABRG2 P18507 3/20 0.42
GABRB3 P28472 3/20 0.42
GABRA5 P31644 3/20 0.42
GABRA3 P34903 3/20 0.42
GABRA2 P47869 3/20 0.42
GABRB2 P47870 3/20 0.42
GABRA4 P48169 3/20 0.42
GABRE P78334 3/20 0.42
GABRA6 Q16445 3/20 0.42
GABRG1 Q8N1C3 3/20 0.42
GABRG3 Q99928 3/20 0.42
GABRQ Q9UN88 3/20 0.42

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
SCHEMBL15428648 0.85 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1GABRP
SCHEMBL15428686 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19MAPK1GABRP
SCHEMBL15428628 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428666 0.81 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL15428590 0.81 SCN9A (0.46) ALDH1A1MAPK1SMN1; SMN2RAB9ACYP3A4
SCHEMBL6168749 0.77 GABRB3 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1818071 0.77 CYP1A2 (0.54) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL21874531 0.72 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL11326478 0.72 CYP1A2 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL13172113 0.72 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C19MAPK1SMN1; 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 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.