SCHEMBL3209728

SCHEMBL3209728

Cc1cccc(Cl)c1-c1cccc2c1OC(CN)CN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
PBRM1 Q86U86 6/20 0.35
AQP1 P29972 2/20 0.34
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
CA2 P00918 1/20 0.32
BRD4 O60885 2/20 0.31
CREBBP Q92793 2/20 0.31
PTPN11 Q06124 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR5A P47898 1/20 0.30
GRIA1 P42261 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
SCHEMBL3208813 1.00 HTR2C (0.36) HTR2CHTR2AHTR2BPBRM1AQP1
SCHEMBL3203168 1.00 HTR2C (0.36) HTR2CHTR2AHTR2BPBRM1AQP1
SCHEMBL3218216 0.94 AQP1 (0.36) HTR2CHTR2AHTR2BAQP1PRKAB2
SCHEMBL3222302 0.94 AQP1 (0.36) HTR2CHTR2AHTR2BAQP1PRKAB2
SCHEMBL3212268 0.94 AQP1 (0.36) HTR2CHTR2AHTR2BAQP1PRKAB2
SCHEMBL3218165 0.91 PRKAB2 (0.34) HTR2CHTR2AHTR2BPRKAB2PRKAG1
SCHEMBL3213753 0.91 PRKAB2 (0.34) HTR2CHTR2AHTR2BPRKAB2PRKAG1
SCHEMBL3218102 0.91 PRKAB2 (0.34) HTR2CHTR2AHTR2BPRKAB2PRKAG1
SCHEMBL3207333 0.88 AQP1 (0.33) HTR2CHTR2AHTR2BPBRM1AQP1
SCHEMBL3214846 0.88 AQP1 (0.33) HTR2CHTR2AHTR2BPBRM1AQP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US claimed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO claimed
WO-2008052075-A2 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R HTR2C 1/4885HTR2A 5/4885HTR2B 9/4885

“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.