SCHEMBL21100786

SCHEMBL21100786

CC(C)(C)c1ccc2[nH]ncc2c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.51
AXL P30530 2/20 0.46
IDO1 P14902 1/20 0.40
NOS1 P29475 4/20 0.38
DHPS P49366 1/20 0.37
METAP2 P50579 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL20132550 0.80 AXL (0.43) TRPA1AXLIDO1NOS1DHPS
SCHEMBL14804208 0.79 NOS1 (0.46) TRPA1AXLIDO1NOS1DHPS
SCHEMBL21341661 0.76 AXL (0.44) TRPA1AXLIDO1NOS1DHPS
SCHEMBL22967876 0.76 AXL (0.56) TRPA1AXLIDO1NOS1METAP2
SCHEMBL29769117 0.76 TRPA1 (0.47) TRPA1AXLIDO1NOS1METAP2
SCHEMBL9909086 0.76 TRPA1 (0.47) TRPA1AXLIDO1NOS1METAP2
SCHEMBL17030763 0.75 AXL (0.42) TRPA1AXLIDO1NOS1DHPS
SCHEMBL31411470 0.75 TRPA1 (0.50) TRPA1AXLIDO1NOS1METAP2
SCHEMBL2627058 0.74 AXL (0.68) TRPA1AXLIDO1NOS1DHPS
SCHEMBL23919008 0.73 DHPS (0.42) TRPA1AXLIDO1DHPSMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
EP-3421464-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2021-11-24 EP disclosed
US-11130749-B2 2021-09-28 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 US disclosed
US-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-18 US 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-10323023-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 TRPA1 4851/4885AXL 3239/4885IDO1 3420/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 TRPA1 1045/4885AXL 1807/4885IDO1 3980/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 TRPA1 4815/4885AXL 4717/4885IDO1 3951/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 TRPA1 4851/4885AXL 3239/4885IDO1 3420/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA TRPA1 4790/4885AXL 2844/4885IDO1 3511/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 TRPA1 3700/4885AXL 3892/4885IDO1 887/4885

“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.