SCHEMBL2980700

SCHEMBL2980700

CC1CCCCN1c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
PDK2 Q15119 1/20 0.44
GFER P55789 1/20 0.40
SMARCA2 P51531 4/20 0.39
SMARCA4 P51532 4/20 0.39
PBRM1 Q86U86 4/20 0.39
NR1I2 O75469 3/20 0.39
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CHRM4 P08173 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR1 P21453 4/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL2980699 1.00 AR (0.52) ARPDK2GFERSMARCA2SMARCA4
SCHEMBL2567623 0.96 AR (0.56) ARPDK2GFERSMARCA2SMARCA4
SCHEMBL2793351 0.96 AR (0.56) ARPDK2GFERSMARCA2SMARCA4
SCHEMBL2975255 0.96 AR (0.56) ARPDK2GFERSMARCA2SMARCA4
SCHEMBL4904767 0.80 AR (0.61) AR
SCHEMBL14414152 0.80 AR (0.57) ARPDK2MAOAMAOBCHRM4
SCHEMBL2052714 0.79 HSD11B1 (0.42) ARKMT2AMAPT
SCHEMBL28043922 0.79 AR (0.42) ARPDK2MEN1ALDH1A1KMT2A
SCHEMBL6290240 0.78 GAA (0.43) ARPDK2GFERSMARCA2SMARCA4
SCHEMBL2051776 0.78 NOTUM (0.40) ARALDH1A1

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-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 AR 3016/4885PDK2 3054/4885GFER 1034/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 AR 3016/4885PDK2 3054/4885GFER 1034/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AR 3016/4885PDK2 3054/4885GFER 1034/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 AR 3016/4885PDK2 3054/4885GFER 1034/4885

“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.