SCHEMBL979555

SCHEMBL979555

CCn1c(N)nc2cc(F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
RPS6KA5 O75582 2/20 0.59
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAD52 P43351 1/20 0.50
TLR8 Q9NR97 3/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.45
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNK13 Q9HB14 1/20 0.41

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
SCHEMBL1170261 0.83 TLR8 (0.72) RPS6KA5TLR8POLBNUDT1BACE1
SCHEMBL10641373 0.81 KDM4E (0.64) HTTCYP1A2RPS6KA5KDM4EMAPT
SCHEMBL12598268 0.81 TLR8 (0.70) HTTCYP1A2CYP2D6RPS6KA5KDM4E
SCHEMBL21310933 0.80 RPS6KA5 (0.44) HTTCYP1A2CYP2D6RPS6KA5TLR8
SCHEMBL14521693 0.80 CYP1A2 (0.55) HTTCYP1A2CYP2D6KDM4ERAD52
SCHEMBL6622952 0.78 HTT (0.57) HTTCYP1A2CYP2D6RPS6KA5KDM4E
SCHEMBL2857719 0.77 MEN1 (0.44) RPS6KA5KDM4EMAPTTLR8ALDH1A1
SCHEMBL12658348 0.77 SOS1 (0.56) HTTALDH1A1POLBKMT2AKCNK13
SCHEMBL10642457 0.76 RPS6KA5 (0.49) HTTCYP1A2RPS6KA5KDM4EMAPT
SCHEMBL1992429 0.75 CYP1A2 (1.00) HTTCYP1A2CYP2D6RPS6KA5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636345-B2 Benzimidazole derivatives useful TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 US disclosed
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-04 US disclosed
US-8981113-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2015-03-17 US disclosed
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
EP-2440294-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 EP disclosed
EP-2440295-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 EP disclosed
US-8450497-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US disclosed
US-8242157-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
EP-2440294-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP disclosed
EP-2440295-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP disclosed
US-20110003801-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-06 US disclosed
US-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-06 US disclosed
WO-2010144680-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 WO disclosed
WO-2010144679-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 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 (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-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HTT 3961/4885CYP1A2 2842/4885CYP2D6 1847/4885
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HTT 3961/4885CYP1A2 2842/4885CYP2D6 1847/4885
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HTT 3738/4885CYP1A2 3457/4885CYP2D6 2266/4885
US-20110003801-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HTT 3961/4885CYP1A2 2842/4885CYP2D6 1847/4885

“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.