SCHEMBL3512957

SCHEMBL3512957

O=C1CCCN1CCOc1ccc(-c2ccc3ncc(-c4cnc5[nH]ccc5c4)n3n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.40
EGLN2 Q96KS0 1/20 0.39
FYN P06241 9/20 0.39
FEN1 P39748 2/20 0.38
BRD4 O60885 1/20 0.38
CTSK P43235 1/20 0.38
ALOX5AP P20292 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
DYRK3 O43781 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TNIK Q9UKE5 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL3513311 0.96 HRH3 (0.40) CTSSEGLN2FYNFEN1ALOX5AP
SCHEMBL3513434 0.90 FYN (0.49) FYN
SCHEMBL3515936 0.89 TNIK (0.40) CTSSEGLN2FYNDYRK3CCNT1
SCHEMBL3513347 0.83 CTSS (0.48) CTSSEGLN2FYNCTSKHRH3
SCHEMBL3516230 0.79 FYN (0.58) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515193 0.79 CTSS (0.44) CTSSEGLN2FYNCTSKHRH3
SCHEMBL3517135 0.74 PIK3CA (0.53) CTSSFYNCTSK
SCHEMBL3515931 0.73 FYN (0.71) FYN
SCHEMBL3514365 0.72 FYN (0.43) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515015 0.71 TNF (0.47) CTSSEGLN2FYNCTSKDYRK1A

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-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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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 (1 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 CTSS 4068/4885EGLN2 2369/4885FYN 425/4885

“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.