SCHEMBL2806676

SCHEMBL2806676

Cc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
RAPGEF4 Q8WZA2 3/20 0.42
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
PHGDH O43175 1/20 0.37
ACP1 P24666 1/20 0.37
XPO1 O14980 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.35
MAPT P10636 1/20 0.34
KIF11 P52732 1/20 0.33
CES2 O00748 1/20 0.33
IDH1 O75874 1/20 0.33
KDR P35968 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
SCHEMBL31026307 1.00 NOTUM (0.47) NOTUMRAPGEF4PGK1PGK2PHGDH
SCHEMBL16419769 0.83 NOTUM (0.44) NOTUMRAPGEF4PGK1PGK2PHGDH
SCHEMBL1844641 0.82 PGK1 (0.35) NOTUMPGK1PGK2ALDH1A1MAPK1
SCHEMBL1082212 0.82 NOTUM (0.50) NOTUMACP1ALDH1A1S1PR1S1PR3
SCHEMBL131138 0.82 NOTUM (0.50) NOTUMRAPGEF4ACP1XPO1ALDH1A1
SCHEMBL107119 0.82 RAPGEF4 (0.56) NOTUMRAPGEF4PGK1PGK2XPO1
SCHEMBL130017 0.82 RAPGEF4 (0.50) NOTUMRAPGEF4PGK1PGK2XPO1
SCHEMBL1445873 0.79 NOTUM (0.48) NOTUMRAPGEF4ACP1XPO1ALDH1A1
SCHEMBL2745570 0.78 POLB (0.41) PGK1PGK2ALDH1A1MAPK1MAPT
SCHEMBL34460149 0.78 POLB (0.41) PGK1PGK2ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680601-A1 PYRIDAZINE COMPOUNDS, THEIR PREPARATION, AND THEIR THERAPEUTIC USES Sanofi (FR) 2026-01-21 EP disclosed
EP-4658654-A1 PYRROLO[1,2-D][1,2,4]TRIAZINES AND PYRAZOLO[1,5-D] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 EP disclosed
EP-4642784-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2025-11-05 EP disclosed
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
US-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-06-26 US disclosed
EP-4562009-A1 NOVEL COMPOUNDS AC Immune SA (CH) 2025-06-04 EP disclosed
WO-2025099241-A1 NLRP3 MODULATORS EVOTEC INTERNATIONAL GMBH (DE) 2025-05-15 WO disclosed
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-04-10 US disclosed
CN-119732956-A NLRP3 inflammatory corpuscle inhibitor 诺华股份有限公司 2025-04-01 CN disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-0084648-B1 PROCESS FOR THE ISOMERIZATION OF ALKYLBENZOTRIFLUORIDES BAYER AG (DE) 1984-11-07 EP disclosed
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed
EP-0084648-A1 Process for the isomerization of alkylbenzotrifluorides BAYER AG (DE) 1983-08-03 EP 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 NOTUM 4739/4885RAPGEF4 4535/4885PGK1 2608/4885
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NOD1 NOTUM 4504/4885RAPGEF4 1701/4885PGK1 928/4885
US-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NLRP1 NOTUM 3516/4885RAPGEF4 1507/4885PGK1 1091/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NOTUM 1888/4885RAPGEF4 4479/4885PGK1 2738/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA NOTUM 2503/4885RAPGEF4 4435/4885PGK1 1485/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 NOTUM 4483/4885RAPGEF4 1224/4885PGK1 2773/4885

“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.