SCHEMBL1963855

SCHEMBL1963855

Cc1nc2ncncc2c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
ALOX12 P18054 1/20 0.52
CYP3A4 P08684 1/20 0.52
GRM1 Q13255 4/20 0.48
GRM5 P41594 2/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
DPP4 P27487 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C19 P33261 1/20 0.45
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL12553563 0.83 CYP1A2 (0.46) HSD17B10ALDH1A1CYP1A2CYP2C9ALOX12
SCHEMBL10315083 0.79 MAPK1 (0.51) HSD17B10ALDH1A1CYP1A2CYP2C9ALOX12
SCHEMBL1965209 0.77 ALOX12 (0.70) HSD17B10ALDH1A1ALOX12GRM1GRM5
SCHEMBL1682746 0.73 MAPK1 (0.75) HSD17B10ALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL30122631 0.73 MAPK1 (0.75) HSD17B10ALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL9611688 0.70 CYP1A2 (0.69) HSD17B10ALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL29733156 0.69 MAPK1 (0.53) HSD17B10ALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL30454788 0.69 ALOX12 (1.00) HSD17B10ALDH1A1ALOX12MAPK1SMN1; SMN2
SCHEMBL1961417 0.68 TSHR (0.50) HSD17B10ALDH1A1CYP1A2CYP2C9ALOX12
SCHEMBL1704550 0.68 CYP2D6 (0.73) HSD17B10ALDH1A1CYP1A2CYP2C9ALOX12

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-08-10 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-9486455-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-8552009-B2 Substituted pyrimido 4.5-d pyrimidin-4-one compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. 2013-10-08 US disclosed
US-20090018147-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES INC. (US) 2009-01-15 US disclosed
US-20090018147-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES INC. (US) 2009-01-15 US disclosed
WO-2008140750-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC. (US) 2008-11-20 WO disclosed
WO-2008140750-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC. (US) 2008-11-20 WO disclosed
EP-1954283-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-08-13 EP disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 WO disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 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-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 HSD17B10 2713/4885ALDH1A1 3074/4885CYP1A2 3450/4885
US-20090018147-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 HSD17B10 2713/4885ALDH1A1 3074/4885CYP1A2 3450/4885
US-20070179164-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 HSD17B10 2713/4885ALDH1A1 3074/4885CYP1A2 3450/4885
US-20170224687-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 HSD17B10 2713/4885ALDH1A1 3074/4885CYP1A2 3450/4885

“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.