Sugi Predict

Sugi Predict / Compounds / SCHEMBL979443

SCHEMBL979443

SCHEMBL979443

Nc1nc2ccccc2n1CC1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CXCR4 P61073 1/20 0.60
▸ PRKACA P17612 2/20 0.59
▸ RPS6KB1 P23443 2/20 0.59
▸ GSK3B P49841 2/20 0.59
▸ ROCK1 Q13464 2/20 0.59
▸ POLB P06746 1/20 0.57
▸ TLR8 Q9NR97 3/20 0.54
▸ TNF P01375 2/20 0.53
▸ NOD2 Q9HC29 2/20 0.53
▸ NOD1 Q9Y239 2/20 0.53
▸ CXCL8 P10145 1/20 0.53
▸ SOS1 Q07889 1/20 0.53
▸ NOS2 P35228 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1708203 1.00 HTT (0.60) HTTCYP1A2CYP2D6CXCR4PRKACA
SCHEMBL20641318 0.94 PRKACA (0.61) HTTCYP1A2CYP2D6CXCR4PRKACA
SCHEMBL6196564 0.89 PRKACA (0.56) HTTCYP1A2CYP2D6CXCR4PRKACA
SCHEMBL12598787 0.88 POLB (0.56) HTTCYP1A2CYP2D6CXCR4PRKACA
SCHEMBL30897344 0.80 PRKACA (0.52) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL7168778 0.80 LMNA (0.53) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL13035832 0.80 TNF (0.57) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL7168780 0.80 LMNA (0.53) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL15956414 0.80 LMNA (0.53) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL1708206 0.79 HDAC3 (0.52) HTTPRKACARPS6KB1GSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652164-B1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2023-06-21 — — EP disclosed
US-11306081-B2 Phenylacetamides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-19 — — US disclosed
US-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — US disclosed
EP-3652164-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2020-05-20 — — EP disclosed
WO-2019014300-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-17 — — WO disclosed
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-2440295-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 — — EP disclosed
EP-2440294-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 (6 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-20210147407-A1 PHENYLACETAMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 HTT 3675/4885CYP1A2 1119/4885CYP2D6 3066/4885
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 HTT 3961/4885CYP1A2 2842/4885CYP2D6 1847/4885
US-11306081-B2 Phenylacetamides as inhibitors of rock MYLK, ROCK1, ROCK2 HTT 3675/4885CYP1A2 1119/4885CYP2D6 3066/4885
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.