SCHEMBL933336

SCHEMBL933336

COc1ncc(F)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 4/20 0.36
KEAP1 Q14145 1/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 1/20 0.35
ULK1 O75385 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
SYK P43405 2/20 0.33
AURKA O14965 2/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
JAK2 O60674 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
POLQ O75417 1/20 0.32

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
SCHEMBL27194755 0.86 KEAP1 (0.31) KEAP1
SCHEMBL30761863 0.86 KEAP1 (0.31) KEAP1
SCHEMBL20304947 0.80 HPGD (0.38) KEAP1SYK
SCHEMBL12093598 0.78 PIK3CA (0.44) PIK3CAMTORCYP3A4MAPTCASP1
SCHEMBL1882789 0.78 HTT (0.46) S100A9PIK3CAMTORCYP2C9MAPT
SCHEMBL2655524 0.78 MAPT (0.39) S100A9MAPTCASP1AURKATTK
SCHEMBL15472079 0.78 PIK3CA (0.41) PIK3CAMTORCYP2C9CYP3A4AURKA
SCHEMBL3951932 0.78 ULK1 (0.36) PIK3CAULK1MAPT
SCHEMBL20656225 0.77 APP (0.37)
SCHEMBL12093713 0.77 AGBL2 (0.42) PIK3CACYP2C9CYP3A4MAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2025-07-24 US disclosed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
WO-2025078654-A1 ANTIBACTERIAL COMPOUNDS VEIRULENCE LTD (GB) 2025-04-17 WO disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ENLIVEN INC. (US) 2025-03-04 US disclosed
WO-2025021193-A1 STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
WO-2025020191-A1 STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 珂阑(上海)医药科技有限公司 2025-01-30 WO disclosed
CN-113773335-B Compound serving as protein kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2024-12-03 CN disclosed
EP-2164840-A2 MODULATORS OF CFTR Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 US disclosed
EP-2116538-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2009-11-11 EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 WO disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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 (7 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R S100A9 4489/4885KEAP1 1141/4885PIK3CA 1885/4885
US-20250236621-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR S100A9 3450/4885KEAP1 1125/4885PIK3CA 208/4885
US-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF S100A9 2179/4885KEAP1 293/4885PIK3CA 3396/4885
US-20100063055-A1 CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES NR3C2, MC2R, NR5A1 S100A9 4764/4885KEAP1 444/4885PIK3CA 3661/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A S100A9 3073/4885KEAP1 534/4885PIK3CA 298/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 S100A9 4288/4885KEAP1 2896/4885PIK3CA 452/4885
US-12240846-B2 5- and 6-azaindole compounds for inhibition of Bcr-Abl tyrosine kinases ABL1, ABL2, BCR S100A9 3450/4885KEAP1 1125/4885PIK3CA 208/4885

“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.