Sugi Predict

Sugi Predict / Compounds / SCHEMBL13748259

SCHEMBL13748259

SCHEMBL13748259

COc1ccc(Cl)c(C(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GLP1R P43220 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL16132832 0.85 HTR2A (0.42) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL12360652 0.80 TP53 (0.36) ALDH1A1SMN1; SMN2MAPTRAB9AHPGD
SCHEMBL13711373 0.80 TUBB1 (0.38) HTR2AHTR2CHTR2BMAPK1RAB9A
SCHEMBL13748951 0.80 GLP1R (0.45) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL17661856 0.79 MET (0.31) HTR2AHTR2CHTR2BMET
SCHEMBL12360655 0.78 CSNK2A1 (0.43) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL7939404 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL13748950 0.75 MET (0.36) SMN1; SMN2KDM4EMETTSHR
SCHEMBL19756643 0.75 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL19425821 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 HTR2A 3849/4885HTR2C 3835/4885HTR2B 4259/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 HTR2A 3849/4885HTR2C 3835/4885HTR2B 4259/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 HTR2A 3849/4885HTR2C 3835/4885HTR2B 4259/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 HTR2A 3849/4885HTR2C 3835/4885HTR2B 4259/4885

“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.