SCHEMBL15560352

SCHEMBL15560352

Cc1ccc(-n2nccc2-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
PTK2B Q14289 1/20 0.45
IP6K1 Q92551 4/20 0.44
IP6K3 Q96PC2 4/20 0.44
IP6K2 Q9UHH9 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR3C2 P08235 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NT5E P21589 1/20 0.37
PIK3CA P42336 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
SCHEMBL17075423 0.91 ALDH1A1 (0.52) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL17075414 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL17075426 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL15556689 0.86 ALDH1A1 (0.48) PIM1MEN1KMT2AALDH1A1RAB9A
SCHEMBL15557300 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL17075413 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL15556697 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL15560333 0.82 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1RAB9APOLB
SCHEMBL15556017 0.82 MEN1 (0.52) PIM1MEN1KMT2AALDH1A1RAB9A
SCHEMBL17086614 0.81 MEN1 (0.48) MEN1KMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US claimed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP claimed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US claimed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
US-9440962-B2 Benzisoxazoles HOFFMANN-LA ROCHE INC. (US) 2016-09-13 US disclosed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP disclosed
EP-2877466-B1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS HOFFMANN LA ROCHE (CH) 2016-07-06 EP disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US disclosed
US-20150259334-A1 BENZISOXAZOLES HOFFMANN-LA ROCHE INC. (US) 2015-09-17 US disclosed
EP-2877466-A1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS F. Hoffmann-La Roche AG (CH) 2015-06-03 EP disclosed
WO-2014016267-A1 BENZISOXAZOLE MODULATORS OF NEUROGENESIS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-30 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-20150259334-A1 BENZISOXAZOLES CDR2, CHRNA5, CHRNA3 PIM1 4519/4885MEN1 1009/4885KMT2A 3915/4885

“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.