Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484367

SCHEMBL4484367

SCHEMBL4484367

O=C1CCOc2c(Br)cccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CREBBP Q92793 7/20 0.38
▸ BRD4 O60885 6/20 0.38
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL29736794 0.83 SMYD3 (0.45) CREBBPBRD4CCNB2CDK1CCNB1
SCHEMBL2380905 0.83 SMYD3 (0.45) CREBBPBRD4CCNB2CDK1CCNB1
SCHEMBL15964658 0.80 CREBBP (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27060152 0.78 BRD4 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22368946 0.76 CREBBP (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL27051273 0.76 CREBBP (0.38) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22368752 0.74 CREBBP (0.45) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22368917 0.73 CREBBP (0.62) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4466764 0.72 EGFR (0.40) MAPTCDK5HTR1AHTR7HTR2B
SCHEMBL837526 0.72 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2013-05-16 — — US disclosed
US-8377931-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-02-19 — — US disclosed
US-20090325950-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-31 — — US disclosed
US-20050130962-A1 Benzoxazine derivatives and uses thereof BERGER JACOB (US) 2005-06-16 — — US disclosed
US-6867204-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-03-15 — — US disclosed
US-20030232825-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2003-12-18 — — 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 (4 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-20090325950-A1 Benzoxazine derivatives and uses thereof F12, CYP4X1, CYP3A5 NPC1 925/4885MAPK13 4073/4885MAPK12 2470/4885
US-20050130962-A1 Benzoxazine derivatives and uses thereof F12, HAX1, CYP4X1 NPC1 1016/4885MAPK13 4225/4885MAPK12 2664/4885
US-20030232825-A1 Benzoxazine derivatives and uses thereof CYP3A5, CYP4X1, XDH NPC1 1347/4885MAPK13 3744/4885MAPK12 2446/4885
US-20130123251-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F12, CYP4X1, CYP3A5 NPC1 925/4885MAPK13 4073/4885MAPK12 2470/4885

“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.