SCHEMBL15024522

SCHEMBL15024522

CCc1cn2c3c(cccc13)CCC2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.69
HTR2C P28335 2/20 0.69
MTNR1A P48039 7/20 0.62
MTNR1B P49286 7/20 0.62
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPA1 O60313 1/20 0.44
EIF5B O60841 1/20 0.44
MET P08581 1/20 0.44
HMOX2 P30519 1/20 0.44
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12450045 0.88 HTR2A (0.74) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL9303578 0.82 HTR2A (0.63) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL10199629 0.82 HTR2A (1.00) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL2260014 0.81 HTR2A (0.65) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL1395857 0.81 MTNR1A (0.61) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL12572732 0.80 HTR2A (0.60) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL10100276 0.80 HTR2A (0.59) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL2345293 0.79 HTR2A (0.70) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL2020434 0.79 MTNR1A (0.59) HTR2AHTR2CMTNR1AMTNR1BHPGD
SCHEMBL2349253 0.79 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384371-B2 Hydroxylation of branched aliphatic or aromatic substrates employing the amycolatopsis lurida cytochrome P450 HYPHA DISCOVERY LIMITED (GB) 2022-07-12 US disclosed
US-9642847-B2 Combinational compositions and methods for treatment of cancer ARQULE, INC. (US) 2017-05-09 US disclosed
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2016-12-08 US disclosed
US-9447088-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2016-09-20 US disclosed
US-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER ARQULE, INC. 2015-11-19 US disclosed
US-20140200199-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. 2014-07-17 US disclosed
US-8754078-B2 Compositions and methods for treatment of cancer ARQULE, INC. (US) 2014-06-17 US disclosed
US-20130150310-A1 Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2013-06-13 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-20150328208-A1 COMBINATIONAL COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER TP53, MKI67, POLI HTR2A 4571/4885HTR2C 4153/4885MTNR1A 1918/4885
US-20140200199-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 HTR2A 4255/4885HTR2C 3384/4885MTNR1A 1569/4885
US-20160355515-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER MKI67, NUP205, TP53 HTR2A 4255/4885HTR2C 3384/4885MTNR1A 1569/4885
US-20130150310-A1 Compositions and Methods for Treatment of Cancer MKI67, NUP205, TP53 HTR2A 4255/4885HTR2C 3384/4885MTNR1A 1569/4885

“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.