SCHEMBL4154853

SCHEMBL4154853

O=C(Nc1ccccc1)c1c(Cl)cccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.71
JAK2 O60674 6/20 0.71
JAK1 P23458 4/20 0.71
CYP3A4 P08684 1/20 0.71
TAS1R3 Q7RTX0 1/20 0.65
TAS1R1 Q7RTX1 1/20 0.65
TAS1R2 Q8TE23 1/20 0.65
KMT2A Q03164 2/20 0.63
GAA P10253 1/20 0.58
POLB P06746 1/20 0.58
PTGS2 P35354 1/20 0.57
EGFR P00533 1/20 0.55
SMO Q99835 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54

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
SCHEMBL2168022 0.89 TYK2 (0.58) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL3791414 0.89 SMO (0.61) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL2845491 0.88 F2R (0.63) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL30230787 0.88 TYK2 (0.75) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL9884060 0.88 TYK2 (0.75) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL14991989 0.88 JAK1 (0.75) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL28448935 0.86 TYK2 (0.55) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL7605864 0.85 KMT2A (0.61) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL29493359 0.85 JAK2 (0.54) TYK2JAK2JAK1CYP3A4TAS1R3
SCHEMBL4152879 0.85 PTPRC (0.61) TYK2JAK2JAK1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
CN-1878466-A Biphenyl derivative or salt thereof, pest control agent containing the same as active ingredient ISHIHARA SANGYO KAISHA (JP) 2006-12-13 CN disclosed
US-6685617-B1 4-(((-1-CARBOXY-2-(4-((2,6-DICHLOROBENZOYL)AMINE)PHENYL)ETHYL) AMINO)CARBONYL)-3-OXO-3-THIAZOLIDINEBUTANOIC ACID, USED AS ANTAGONISTS FOR CELLULAR ADHESION MOLECULES, AND ADMINISTERED AS ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN COMPANY 2004-02-03 US disclosed
EP-1089989-A1 INHIBITORS OF ALPHA4BETA1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 2001-04-11 EP disclosed
WO-1999067230-A1 INHIBITORS OF α4β1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 1999-12-29 WO disclosed
US-5047573-A Process for the production of peptides using diacylamines BRADACZEK HANS (DE) 1991-09-10 US disclosed
EP-0259396-B1 PROCESS FOR PEPTIDE PRODUCTION BRADACZEK, Hans (DE) 1991-07-24 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 (1 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 TYK2 60/4885JAK2 1438/4885JAK1 1802/4885

“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.