Sugi Predict

Sugi Predict / Compounds / SCHEMBL3515936

SCHEMBL3515936

SCHEMBL3515936

O=C1CCCN1CCOc1ccc(-c2ccc3ncc(-c4cnc5[nH]ccc5c4)n3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ MKNK1 Q9BUB5 3/20 0.37
▸ MKNK2 Q9HBH9 3/20 0.37
▸ CTSS P25774 1/20 0.37
▸ FYN P06241 3/20 0.37
▸ DYRK3 O43781 2/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ DYRK2 Q92630 2/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3512957 0.89 CTSS (0.40) TNIKEGLN2CCNCCDK8CTSS
SCHEMBL3513434 0.88 FYN (0.49) FYN
SCHEMBL3513311 0.85 HRH3 (0.40) TNIKEGLN2CTSSFYNDYRK3
SCHEMBL3514365 0.81 FYN (0.43) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3514364 0.81 FYN (0.46) CCNCCDK8FYNDYRK3CCNT1
SCHEMBL3515015 0.80 TNF (0.47) POLBEGLN2CCNCCDK8CTSS
SCHEMBL3513301 0.79 JAK2 (0.43) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515340 0.79 FYN (0.55) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL12985883 0.77 ABL1 (0.43) MKNK1MKNK2FYN
SCHEMBL3515901 0.76 TNF (0.46) EGLN2CTSSFYNDYRK1AKDM4E

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 6 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
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 TNIK 139/4885GPR119 1257/4885POLB 2198/4885

“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.