Sugi Predict

Sugi Predict / Compounds / SCHEMBL3513301

SCHEMBL3513301

SCHEMBL3513301

c1cnn(CCOc2ccc(-c3ccc4ncc(-c5cnc6[nH]ccc6c5)n4n3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.43
▸ FYN P06241 14/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ DYRK3 O43781 3/20 0.38
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ DYRK2 Q92630 3/20 0.38
▸ DYRK1B Q9Y463 3/20 0.38
▸ BPTF Q12830 1/20 0.38
▸ CECR2 Q9BXF3 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL3514365 0.83 FYN (0.43) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3514364 0.81 FYN (0.46) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515340 0.81 FYN (0.55) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515936 0.79 TNIK (0.40) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3518066 0.79 PIK3CA (0.47) JAK2FYNDYRK1A
SCHEMBL12985883 0.76 ABL1 (0.43) JAK2FYN
SCHEMBL3515335 0.76 TNF (0.49) JAK2FYNDYRK1A
SCHEMBL3514701 0.74 FYN (0.66) FYNDYRK3CCNT1CDK9CDK5
SCHEMBL3515931 0.73 FYN (0.71) FYN
SCHEMBL3516230 0.71 FYN (0.58) FYNDYRK3CCNT1CDK9CDK5

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 JAK2 124/4885FYN 425/4885PRKAB2 389/4885

“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.