SCHEMBL10100276

SCHEMBL10100276

Cc1cn2c3c(cccc13)CCC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
PARP1 P09874 1/20 0.48
MCL1 Q07820 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
OPA1 O60313 1/20 0.44
EIF5B O60841 1/20 0.44
MET P08581 1/20 0.44
HMOX2 P30519 1/20 0.44

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
SCHEMBL17553683 0.95 HTR2A (0.54) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL23221087 0.87 HPGD (0.55) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL1395855 0.81 HTR2A (0.55) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL17553681 0.81 HTR2A (0.57) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL15348868 0.81 HTR2A (0.57) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL20365440 0.80 HTR2A (0.54) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL15024522 0.80 HTR2A (0.69) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL26370481 0.78 HPGD (0.46) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL12450045 0.78 HTR2A (0.74) HTR2AHTR2CUSP2ALDH1A1HPGD
SCHEMBL23691134 0.78 HTR2A (0.55) HTR2AHTR2CUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
WO-2018119441-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-28 WO disclosed
WO-2018091885-A1 HYDROXYLATION OF BRANCHED ALIPHATIC OR AROMATIC SUBSTRATES EMPLOYING THE AMYCOLATOPSIS LURIDA CYTOCHROME P450 HYPHA DISCOVERY LIMITED (GB) 2018-05-24 WO disclosed
WO-2016029839-A1 (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE 四川海思科制药有限公司 2016-03-03 WO disclosed
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2014-12-04 US disclosed
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2014-12-04 US disclosed
US-8871747-B2 Urea and thiourea derivatives TOPOTARGET A/S (DK) 2014-10-28 US disclosed
US-8871747-B2 Urea and thiourea derivatives TOPOTARGET A/S (DK) 2014-10-28 US disclosed
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES MCDERMOTT WILL & EMERY LLP (DC) 2012-01-12 US disclosed
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES MCDERMOTT WILL & EMERY LLP (DC) 2012-01-12 US disclosed
WO-2010023307-A1 NOVEL UREA AND THIOUREA DERIVATIVES TOPOTARGET A/S (DK) 2010-03-04 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 (2 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-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT HTR2A 4341/4885HTR2C 4534/4885USP2 2139/4885
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT HTR2A 4341/4885HTR2C 4534/4885USP2 2139/4885

“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.