Sugi Predict

Sugi Predict / Compounds / SCHEMBL979423

SCHEMBL979423

SCHEMBL979423

Nc1nc2ccccc2n1CC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CXCR4 P61073 1/20 0.62
▸ POLB P06746 1/20 0.58
▸ TLR8 Q9NR97 3/20 0.55
▸ NOD1 Q9Y239 3/20 0.54
▸ TNF P01375 2/20 0.54
▸ NOD2 Q9HC29 2/20 0.54
▸ CXCL8 P10145 2/20 0.54
▸ SOS1 Q07889 1/20 0.54
▸ NOS2 P35228 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ TP53 P04637 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
SCHEMBL1707586 1.00 HTT (0.62) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL990194 0.83 HTT (0.67) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL14891383 0.80 HTT (0.63) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL6199065 0.80 CXCR4 (0.85) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL13071432 0.79 CYP2C9 (0.44) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL6694492 0.78 HTT (0.70) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL1707588 0.78 KDM4E (0.44) HTTCYP1A2CYP2D6POLBKMT2A
SCHEMBL21311239 0.78 HTT (0.59) HTTCYP1A2CYP2D6CXCR4POLB
SCHEMBL4766707 0.77 MEN1 (0.62) HTTCYP1A2CYP2D6POLBTNF
SCHEMBL1992429 0.77 CYP1A2 (1.00) HTTCYP1A2CYP2D6CXCR4POLB

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 21 patents — showing the first 20. 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-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — 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
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO 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-2010144679-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 — — WO disclosed
WO-2010144680-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 (5 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 HTT 1045/4885CYP1A2 3460/4885CYP2D6 3345/4885
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.