SCHEMBL3196377

SCHEMBL3196377

CCc1cccc(C)c1-c1cccc2c1O[C@H](CN)CN2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
PKM P14618 1/20 0.32
PRKAB2 O43741 2/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAG3 Q9UGI9 2/20 0.31
PRKAG2 Q9UGJ0 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
HTR1A P08908 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
TYMS P04818 1/20 0.30

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
SCHEMBL3207634 1.00 BRD4 (0.33) BRD4CREBBPPKMPRKAB2PRKAG1
SCHEMBL3197309 1.00 BRD4 (0.33) BRD4CREBBPPKMPRKAB2PRKAG1
SCHEMBL3218102 0.90 PRKAB2 (0.34) BRD4CREBBPPKMPRKAB2PRKAG1
SCHEMBL3218165 0.90 PRKAB2 (0.34) BRD4CREBBPPKMPRKAB2PRKAG1
SCHEMBL3213753 0.90 PRKAB2 (0.34) BRD4CREBBPPKMPRKAB2PRKAG1
SCHEMBL3206913 0.85 AQP1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3211406 0.85 AQP1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3217640 0.85 AQP1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3209728 0.84 HTR2C (0.36) BRD4CREBBPPRKAB2PRKAG1PRKAA2
SCHEMBL3208813 0.84 HTR2C (0.36) BRD4CREBBPPRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed

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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R BRD4 780/4885CREBBP 980/4885PKM 2610/4885

“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.