SCHEMBL2614964

SCHEMBL2614964

COc1nc(C(F)(F)F)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.40
PDE4B Q07343 8/20 0.38
CNR2 P34972 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL12093699 0.80 MBOAT4 (0.38) MBOAT4PDE4BHSD17B10PDE4APDE4C
SCHEMBL15201463 0.78 ULK1 (0.39) MBOAT4PDE4BHSD17B10PTGS2PTGS1
SCHEMBL19172629 0.78 MBOAT4 (0.42) MBOAT4PDE4BHSD17B10PTGS2KDM4E
SCHEMBL14844545 0.78 MBOAT4 (0.37) MBOAT4PDE4BHSD17B10PTGS2PTGS1
SCHEMBL29192570 0.78 MBOAT4 (0.37) MBOAT4PDE4BHSD17B10KDM4ETUBB4A
SCHEMBL30358873 0.78 MBOAT4 (0.37) MBOAT4PDE4BHSD17B10KDM4ETUBB4A
SCHEMBL16647748 0.78 CNR2 (0.42) MBOAT4PDE4BCNR2PDE4APDE4C
SCHEMBL23588457 0.77 HSD17B10 (0.38) MBOAT4PDE4BHSD17B10PTGS2PTGS1
SCHEMBL13136015 0.76 MBOAT4 (0.46) MBOAT4PDE4BPTGS2PTGS1TUBB4A
SCHEMBL14844546 0.76 MBOAT4 (0.36) MBOAT4PDE4BHSD17B10PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286961-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-09-14 US disclosed
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-04-25 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR Shanghai Fosun Pharmaceutical Industrial Development Co., Ltd. (CN) 2023-01-19 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
WO-2018103688-A1 IMIDAZO [1,5-A] PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2018-06-14 WO disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 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 (8 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 MBOAT4 3944/4885PDE4B 1640/4885CNR2 50/4885
US-20230286961-A1 SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS TRPV1, TRPA1, SCN2B MBOAT4 3508/4885PDE4B 1238/4885CNR2 261/4885
US-20230017858-A1 DIAZAINDOLE DERIVATIVE AND USE THEREOF AS CHK1 INHIBITOR CHEK1, CHEK2, DDB1 MBOAT4 4704/4885PDE4B 3063/4885CNR2 4209/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R MBOAT4 252/4885PDE4B 1117/4885CNR2 32/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R MBOAT4 252/4885PDE4B 1117/4885CNR2 32/4885
US-11634424-B2 Diazaindole derivative and use thereof as CHK1 inhibitor CHEK1, CHEK2, DDB1 MBOAT4 4704/4885PDE4B 3063/4885CNR2 4209/4885
US-20110034435-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS KCNJ2, KCNJ1, KCNJ11 MBOAT4 4646/4885PDE4B 3234/4885CNR2 256/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 MBOAT4 4238/4885PDE4B 216/4885CNR2 360/4885

“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.