SCHEMBL17973813

SCHEMBL17973813

CNc1nc(C(F)(F)F)ccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 4/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ IDH1 O75874 7/20 0.36
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL21725463 0.81 IDH1 (0.36) MAT2AIDH1ADRB1GRM5
SCHEMBL24783632 0.76 CYP3A4 (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL2609303 0.76 KDM4E (0.40) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL23717810 0.76 CYP3A4 (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL13879734 0.76 MAT2A (0.41) MAT2ACYP3A4CYP2D6CYP2C19IDH1
SCHEMBL17586753 0.76 CYP3A4 (0.37) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL10280708 0.74 MAT2A (0.40) MAT2ACYP2D6CYP2C19IDH1HPGD
SCHEMBL23572002 0.74 PDE2A (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL17973820 0.74 HSP90AA1 (0.36) MAT2ACYP3A4CYP2D6TSHRCRHBP
SCHEMBL17973864 0.73 CCR1 (0.34) CYP3A4CYP2C19HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 — — US disclosed
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 — — US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 — — US disclosed
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-09-08 — — US disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 — — US disclosed
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 — — US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 — — US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — 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 (12 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAT2A 1621/4885CYP3A4 1713/4885CYP2D6 881/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAT2A 1621/4885CYP3A4 1713/4885CYP2D6 881/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 MAT2A 1621/4885CYP3A4 1713/4885CYP2D6 881/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 MAT2A 1621/4885CYP3A4 1713/4885CYP2D6 881/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MAT2A 606/4885CYP3A4 2798/4885CYP2D6 1931/4885

“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.

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