SCHEMBL3516787

SCHEMBL3516787

N#Cc1ccc(-c2cc[c]cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.45
EGLN2 Q96KS0 1/20 0.43
DGAT1 O75907 1/20 0.43
PDE10A Q9Y233 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
TRPA1 O75762 1/20 0.37
TNF P01375 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
PIK3CD O00329 2/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 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
SCHEMBL12630708 0.89 CHEK1 (0.51) CHEK1EGLN2DGAT1PDE10ATRPA1
SCHEMBL17116597 0.83 DGAT1 (0.48) CHEK1EGLN2DGAT1PDE10ATRPA1
SCHEMBL9024185 0.82 CYP11B2 (0.53) CHEK1EGLN2DGAT1CYP11B2
SCHEMBL31588411 0.82 CHEK1 (0.63) CHEK1EGLN2DGAT1CYP11B2
SCHEMBL70602 0.82 CHEK1 (0.63) CHEK1EGLN2DGAT1CYP11B2
SCHEMBL17324161 0.80 EGLN2 (0.43) CHEK1EGLN2DGAT1PDE10ATRPA1
SCHEMBL17502178 0.80 ALDH1A1 (0.50) CHEK1EGLN2DGAT1PDE10ATRPA1
SCHEMBL17795213 0.80 TNF (0.48) CHEK1EGLN2DGAT1PDE10ATNF
SCHEMBL7285319 0.80 MMP3 (0.52) CHEK1EGLN2DGAT1PDE10AJAK2
SCHEMBL2008653 0.80 CHEK1 (0.45) CHEK1EGLN2DGAT1PDE10ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed
US-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME JNC CORPORATION (JP) 2017-02-02 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO disclosed
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A CHEK1 748/4885EGLN2 2369/4885DGAT1 782/4885
US-20170033293-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLC26A3, SLC9A1, HVCN1 CHEK1 4506/4885EGLN2 1111/4885DGAT1 2178/4885

“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.