SCHEMBL17857192

SCHEMBL17857192

CC(C)(C)OC(=O)N1CCC(c2c(F)cccc2CCl)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GPR119 Q8TDV5 7/20 0.52
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
DPP4 P27487 1/20 0.47
STS P08842 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.43
TRPV3 Q8NET8 1/20 0.43

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
SCHEMBL18739558 0.90 MAPT (0.54) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL18739546 0.89 MAPT (0.53) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL28812695 0.88 GPR119 (0.54) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL17856627 0.87 P2RX7 (0.49) MAPTSMN1; SMN2GPR119THRBSTS
SCHEMBL3467159 0.84 GPR119 (0.51) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL18739577 0.82 GPR119 (0.50) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL17223024 0.81 RBP4 (0.50) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL19405061 0.81 GPR119 (0.52) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL2103090 0.81 THRB (0.48) MAPTSMN1; SMN2GPR119THRBTP53
SCHEMBL17222912 0.80 MAPT (0.51) MAPTSMN1; SMN2GPR119THRBTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359533-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-17 EP disclosed
EP-3472160-B1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-24 EP disclosed
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 US disclosed
EP-3233862-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-07-03 EP disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 US disclosed
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-01-04 US disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed
WO-2017060406-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-04-13 WO disclosed
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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 (3 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB MAPT 3194/4885SMN1; SMN2 4806/4885GPR119 1412/4885
US-20180002336-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS PI3KB INHIBITORS PIK3CB, PIK3CD, PIK3CA MAPT 3973/4885SMN1; SMN2 4794/4885GPR119 1212/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB MAPT 3194/4885SMN1; SMN2 4806/4885GPR119 1412/4885

“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.