SCHEMBL6350912

SCHEMBL6350912

Cc1cc(N)n(-c2ccncc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.70
▸ CYP2C19 P33261 3/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ LMNA P02545 3/20 0.62
▸ POLB P06746 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ PKM P14618 1/20 0.50
▸ NPC1 O15118 5/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ FCGR1A P12314 1/20 0.41

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
SCHEMBL387289 0.82 CYP1A2 (1.00) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL8864119 0.82 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL224624 0.82 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1LMNAPOLB
Hydrochloric Acid SCHEMBL11333910 0.81 CYP1A2 (0.96) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL3325578 0.80 MAPT (0.54) CYP1A2CYP2C19MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11689824 0.79 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL6284416 0.79 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL11748979 0.79 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL20413703 0.79 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAPOLB
SCHEMBL1143474 0.79 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 — — US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 — — EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 — — US disclosed
EP-2755962-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2014-07-23 — — EP disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 — — US disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 — — WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 — — WO disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 — — US disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 — — US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 — — EP 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 (3 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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 CYP1A2 72/4885CYP2C19 113/4885MAPK1 3876/4885
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 CYP1A2 113/4885CYP2C19 58/4885MAPK1 877/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 CYP1A2 72/4885CYP2C19 113/4885MAPK1 3876/4885

“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.

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