SCHEMBL3512920

SCHEMBL3512920

COc1ccc(-c2cnn3ccc(-c4ccc(OCCCNC(=O)OC(C)(C)C)c(OC)c4)nc23)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
FYN P06241 3/20 0.47
PIK3CG P48736 2/20 0.42
ATM Q13315 3/20 0.42
CSNK2A1 P68400 3/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
CFTR P13569 1/20 0.40
BRD4 O60885 2/20 0.39
RET P07949 1/20 0.39
SCN9A Q15858 1/20 0.38
CSNK2A2 P19784 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
SCHEMBL3513472 0.80 MAPT (0.67) MAPTSMN1; SMN2LMNAPOLBMEN1
SCHEMBL3511931 0.75 ATM (0.43) FYNPIK3CGATMCFTRBRD4
SCHEMBL15891392 0.75 FYN (0.45) FYNPIK3CGCSNK2A1JAK2NTRK1
SCHEMBL3516776 0.72 PIK3CA (0.45) FYNPIK3CGATMCFTRBRD4
SCHEMBL4326781 0.72 FYN (0.66) MAPTSMN1; SMN2LMNAPOLBMEN1
SCHEMBL3512827 0.72 CFTR (0.43) FYNPIK3CGATMCFTRBRD4
SCHEMBL3513724 0.72 PIK3CA (0.70) FYN
SCHEMBL3514820 0.71 MTNR1A (0.61) SMN1; SMN2LMNANPC1KMT2ASCN9A
SCHEMBL15891381 0.71 CSNK2A1 (0.50) FYNCSNK2A1JAK2NTRK1BRD4
SCHEMBL29660283 0.71 RET (0.53) CSNK2A1RET

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
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

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 MAPT 4070/4885SMN1; SMN2 4827/4885LMNA 4734/4885

“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.