SCHEMBL4407650

SCHEMBL4407650

COc1cc(O)cc(N)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
MAPT P10636 1/20 0.50
MAOB P27338 1/20 0.47
ALOX5 P09917 2/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
APP P05067 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CTSL P07711 2/20 0.36

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
SCHEMBL10712987 0.84 CYP3A4 (0.61) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL4401870 0.79 ALDH1A1 (0.43) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL21729821 0.78 PTGS2 (0.57) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL19921723 0.78 CYP3A4 (0.54) CYP3A4MAPTMAOBALOX5PTGS2
SCHEMBL3228491 0.77 ALDH1A1 (0.52) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL4406554 0.77 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL29513975 0.77 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL28729178 0.77 CA12 (0.45) CYP3A4ALDH1A1TDP1HSD17B10ESR2
SCHEMBL23702702 0.75 POLB (0.47) CYP3A4MAPTALDH1A1TDP1L3MBTL1
SCHEMBL16659617 0.75 CYP3A4 (0.50) CYP3A4MAPTMAOBALOX5PTGS2

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
US-11155555-B2 Compounds JANSSEN PHARMACEUTICA NV (BE) 2021-10-26 US disclosed
US-20200255430-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-08-13 US disclosed
EP-3353177-B1 TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2020-06-03 EP disclosed
WO-2017050864-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 CYP3A4 2224/4885MAPT 3541/4885MAOB 1173/4885
US-11155555-B2 Compounds NQO2, NQO1, SDHA CYP3A4 84/4885MAPT 2060/4885MAOB 762/4885
US-20200255430-A1 NEW COMPOUNDS NQO2, NQO1, SDHA CYP3A4 125/4885MAPT 2069/4885MAOB 786/4885

“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.