SCHEMBL5658262

SCHEMBL5658262

O=C=Nc1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
MGAM O43451 1/20 0.46
MPI P34949 1/20 0.46
CYP2D6 P10635 1/20 0.43
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
RAB9A P51151 1/20 0.41
CYP2A6 P11509 1/20 0.40
CFTR P13569 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
KDR P35968 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL8109805 0.82 PDGFRB (0.55) CYP1A2MGAMPDGFRBPDGFRACYP2A6
SCHEMBL7119499 0.82 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1
SCHEMBL3684655 0.79 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1
SCHEMBL8123245 0.77 NPC1 (0.52) ALDH1A1HPGDHSD17B10MPIRAB9A
SCHEMBL11170151 0.76 CYP1A2 (0.45) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1
SCHEMBL10156228 0.76 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1
SCHEMBL128094 0.76 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1
SCHEMBL8600635 0.72 NPC1 (0.54) RAB9AMAPTLMNAMAPK1
SCHEMBL232457 0.72 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2MGAMPDGFRB
SCHEMBL4629317 0.71 HTR3E (0.55) ALDH1A1HPGDCYP1A2HSD17B10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020182929-A1 SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 WO claimed
WO-2020182929-A1 SUBSTITUTED UREAS AND DERIVATIVES AS NEW ANTIFUNGAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 WO disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
WO-2012177896-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 US disclosed
WO-2004007459-A2 NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed
US-5596001-A 4-aryl-3-(heteroarylureido)quinoline derivatves PFIZER INC. (US) 1997-01-21 US disclosed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 EP disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885HPGD 1009/4885CYP1A2 3757/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 ALDH1A1 4051/4885HPGD 1009/4885CYP1A2 3757/4885
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 ALDH1A1 1345/4885HPGD 711/4885CYP1A2 724/4885

“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.