SCHEMBL3514636

SCHEMBL3514636

COc1cc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)ccc1C(=O)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
TNF P01375 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
FYN P06241 11/20 0.42
CFTR P13569 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL3514608 0.93 PIK3CA (0.47) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515819 0.90 TNF (0.49) PIK3CATNFMEN1KMT2AKDM4E
SCHEMBL3513780 0.89 FYN (0.48) PIK3CATNFKDM4EPIK3CDPIK3CB
SCHEMBL3514509 0.89 TNF (0.59) PIK3CATNFMEN1KMT2AKDM4E
SCHEMBL3516944 0.88 ALDH1A1 (0.51) TNFKDM4EALDH1A1FYN
SCHEMBL3514354 0.86 PIK3CA (0.51) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3513331 0.86 KDM4E (0.51) TNFKDM4EALDH1A1FYN
SCHEMBL3514853 0.84 PIK3CA (0.48) PIK3CATNFPIK3CDPIK3CBPIK3CG
SCHEMBL3515102 0.81 TNF (0.50) TNFKDM4EALDH1A1FYN
SCHEMBL3512926 0.80 PIK3CA (0.61) PIK3CATNFPIK3CDPIK3CBPIK3CG

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 PIK3CA 10/4885TNF 1981/4885MEN1 4716/4885

“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.