SCHEMBL807736

SCHEMBL807736

CC(C)c1cc(N(C)C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
ELOVL1 Q9BW60 1/20 0.36
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL27346279 0.83 ITGB2 (0.36)
SCHEMBL23015783 0.79 ALDH1A1 (0.32) CYP1A2ALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL786348 0.78 NOS3 (0.36) CYP2D6ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL7717522 0.78 CYP1A2 (0.50) CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10
SCHEMBL23015837 0.77 L3MBTL1 (0.32) ALDH1A1
SCHEMBL19171591 0.77 JAK3 (0.39) ELOVL1
SCHEMBL11960322 0.76 POLB (0.44) ALDH1A1HSD17B10MAPK1
SCHEMBL14550100 0.76 EGFR (0.41) CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10
SCHEMBL14550096 0.75 EGFR (0.40) CYP1A2CYP2D6ALDH1A1CYP3A4HSD17B10
SCHEMBL8818089 0.74 POLB (0.36) ALDH1A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 WO disclosed
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-07-24 US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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 (10 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 CYP1A2 831/4885CYP2D6 354/4885ALDH1A1 4161/4885
US-20140206702-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX6, P2RY6, CYP2D6 CYP1A2 151/4885CYP2D6 3/4885ALDH1A1 692/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CYP1A2 4533/4885CYP2D6 3537/4885ALDH1A1 3834/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 CYP1A2 75/4885CYP2D6 62/4885ALDH1A1 1091/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP1A2 4285/4885CYP2D6 4304/4885ALDH1A1 2049/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CYP1A2 22/4885CYP2D6 59/4885ALDH1A1 1372/4885
US-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 CYP1A2 4144/4885CYP2D6 2777/4885ALDH1A1 2861/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 CYP1A2 3772/4885CYP2D6 3872/4885ALDH1A1 3323/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R CYP1A2 22/4885CYP2D6 59/4885ALDH1A1 1372/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 CYP1A2 4799/4885CYP2D6 4301/4885ALDH1A1 2694/4885

“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.