SCHEMBL14235252

SCHEMBL14235252

Cc1cc(C)c2cc(C#N)c(N3CCN(C(=O)c4cccnc4)CC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 8/20 1.00
▸ KMT2A Q03164 5/20 0.68
▸ MEN1 O00255 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ KDM4E B2RXH2 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ LMNA P02545 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TSHR P16473 4/20 0.58
▸ CASP1 P29466 3/20 0.58
▸ CASP7 P55210 3/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.55
▸ HTT P42858 1/20 0.51
▸ HPGD P15428 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14235251 0.89 CFTR (1.00) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL16141422 0.88 CFTR (0.79) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL14235359 0.84 CFTR (1.00) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL14235250 0.82 CFTR (1.00) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL14235249 0.82 CFTR (1.00) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL14235358 0.79 CFTR (1.00) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL16139269 0.77 CFTR (0.64) CFTRKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16141421 0.77 CFTR (0.77) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL5016780 0.77 KDM4E (0.71) CFTRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL5016782 0.73 KDM4E (0.73) CFTRKMT2AMEN1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073863-B2 Cyanoquinoline compounds having activity in correcting mutant-CFTR processing and increasing ion transport and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 — — US disclosed
US-9073863-B2 Cyanoquinoline compounds having activity in correcting mutant-CFTR processing and increasing ion transport and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-07 — — US disclosed
US-20140296215-A1 Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-02 — — US disclosed
US-20140296215-A1 Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-02 — — US disclosed
WO-2012166654-A1 CYANOQUINOLINE COMPOUNDS HAVING ACTIVITY IN CORRECTING MUTANT-CFTR PROCESSING AND INCREASING ION TRANSPORT AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-06 — — 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-20140296215-A1 Cyanoquinoline Compounds Having Activity in Correcting Mutant-Cftr Processing and Increasing Ion Transport and Uses Thereof CFTR, SLC47A1, SLC47A2 CFTR 1/4885KMT2A 3901/4885MEN1 3428/4885

“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.

Send feedback