SCHEMBL3432039

SCHEMBL3432039

CC(F)(F)CNC(=O)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NAAA Q02083 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TRPA1 O75762 1/20 0.50
PLOD2 O00469 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 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
SCHEMBL10202750 0.87 KDM4E (0.49) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL8068299 0.86 ADORA2A (0.56) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL10264275 0.83 NAAA (0.53) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL16156086 0.82 PRSS1 (0.63) CYP1A2SMN1; SMN2L3MBTL1NAAAALDH1A1
SCHEMBL3433181 0.81 THRB (0.62) CYP1A2CYP2C19CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL19075298 0.78 P2RX7 (0.57) KDM4E
SCHEMBL4046112 0.76 MLYCD (0.62) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL1028171 0.76 GAA (0.67) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL9339173 0.75 MAPT (0.69) KDM4ECYP1A2CYP2C19MPOCYP3A4
SCHEMBL28208211 0.74 KDM4E (0.56) KDM4ECYP1A2CYP2C19MPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KDM4E 1943/4885CYP1A2 2117/4885CYP2C19 1727/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885CYP1A2 1580/4885CYP2C19 1282/4885

“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.