SCHEMBL40330

SCHEMBL40330

CCCC[Sn](CCCC)(CCCC)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
PTGS2 P35354 3/20 0.35
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 3/20 0.33
PIK3CA P42336 2/20 0.33
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
TRPV3 Q8NET8 3/20 0.32
DAO P14920 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
TKT P29401 1/20 0.30
AR P10275 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL5336991 0.83 PTGS2 (0.31) PTGS2
SCHEMBL15488276 0.78 CYP3A4 (0.30)
SCHEMBL1456734 0.76 MAPT (0.38)
SCHEMBL28210197 0.75 TRPV4 (0.32) TRPV4PTGS2PTGS1AR
SCHEMBL14120675 0.75 NPC1 (0.31)
SCHEMBL3883160 0.75 DGAT1 (0.37)
SCHEMBL7003724 0.75 PTGS1 (0.30) PTGS2PTGS1
SCHEMBL7792042 0.74 LMNA (0.41)
SCHEMBL4483092 0.73 RAB9A (0.39) TRPV3
SCHEMBL5641626 0.72 KCNH2 (0.35) KCNH2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4038064-B1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2024-02-21 EP disclosed
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-29 US disclosed
EP-4038064-A1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
CN-113292502-A Novel 4-aminopyridine and 6-aminopyrimidine carboxylates as herbicides 美国陶氏益农公司 2021-08-24 CN disclosed
WO-2021064570-A1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
US-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2020-09-08 US disclosed
EP-2967057-B1 NOVEL 4-AMINOPYRIDINE AND 6-AMINOPYRIMIDINE CARBOXYLATES AS HERBICIDES DOW AGROSCIENCES LLC (US) 2018-11-21 EP disclosed
US-9695170-B2 Naphthyridine derivatives as inhibitors of Hypoxia inducible factor (HIF) hydroxylase FIBROGEN, INC. (US) 2017-07-04 US disclosed
EP-2670750-B1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR FIBROGEN INC (US) 2016-09-14 EP disclosed
US-20160159796-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. 2016-06-09 US disclosed
EP-1366043-B1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-06-20 EP disclosed
US-7186722-B2 2-heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2007-03-06 US disclosed
US-7179806-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2007-02-20 US disclosed
EP-1347957-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2005-09-07 EP disclosed
US-20040116477-A1 2-Heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2004-06-17 US disclosed
US-20040082586-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-29 US disclosed
EP-1366043-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2003-12-03 EP disclosed
EP-1347957-A1 DELTA 1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2003-10-01 EP disclosed
WO-2002064588-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO disclosed
WO-2002046151-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-06-13 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 (4 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-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DDT, P2RX6, PLPBP TRPV4 1441/4885PTGS2 1649/4885PTGS1 2663/4885
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H TRPV4 4744/4885PTGS2 2899/4885PTGS1 1432/4885
US-20040082586-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, PRMT1 TRPV4 3130/4885PTGS2 2533/4885PTGS1 1370/4885
US-20160159796-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE HIF1AN, HIF1A, EGLN2 TRPV4 4319/4885PTGS2 312/4885PTGS1 310/4885

“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.