SCHEMBL1320653

SCHEMBL1320653

O=C(Cc1ccc(F)cc1)Nc1nc2ccc(F)cn2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.47
BACE1 P56817 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
P2RY14 Q15391 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RIOK2 Q9BVS4 1/20 0.40
PDE5A O76074 1/20 0.40
NLRP3 Q96P20 1/20 0.40
RORC P51449 1/20 0.40
TP53 P04637 1/20 0.39
CSNK1D P48730 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GSK3B P49841 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL1320154 0.95 MEN1 (0.47) RETBACE1SMN1; SMN2P2RY14MAPT
SCHEMBL1320400 0.90 RET (0.44) RETBACE1LMNAP2RY14MAPT
SCHEMBL1319402 0.89 P2RY14 (0.47) RETLMNASMN1; SMN2P2RY14NLRP3
SCHEMBL1322413 0.88 TRPA1 (0.39) RETMAPTCSNK1DHDAC1HDAC8
SCHEMBL1319684 0.88 TP53 (0.46) RETP2RY14KMT2ANLRP3RORC
SCHEMBL1322686 0.88 TP53 (0.46) RETP2RY14KMT2ANLRP3RORC
SCHEMBL1319654 0.87 HDAC1 (0.40) RETLMNAMAPTHDAC1HDAC8
SCHEMBL1321100 0.86 CSNK1D (0.41) SMN1; SMN2MAPTCSNK1DHDAC1HDAC8
SCHEMBL1320178 0.86 MAPK14 (0.44) RETLMNASMN1; SMN2P2RY14RIOK2
SCHEMBL1320125 0.86 RET (0.44) RETLMNASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (3 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 RET 534/4885BACE1 237/4885LMNA 1625/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 RET 490/4885BACE1 238/4885LMNA 1325/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 RET 490/4885BACE1 238/4885LMNA 1325/4885

“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.