Sugi Predict

Sugi Predict / Compounds / SCHEMBL2329430

SCHEMBL2329430

SCHEMBL2329430

O=C(O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.78
▸ PDK1 Q15118 1/20 0.69
▸ GRM4 Q14833 1/20 0.61
▸ TRPV1 Q8NER1 4/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TMPRSS4 Q9NRS4 1/20 0.59
▸ KCNJ5 P48544 1/20 0.59
▸ KCNJ3 P48549 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CASR P41180 1/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56

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
Fluoride SCHEMBL11788392 0.98 KDR (0.76) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL118026 0.88 KDR (1.00) KDRPDK1GRM4TRPV1CA1
SCHEMBL29364392 0.88 KDR (1.00) KDRPDK1GRM4TRPV1CA1
SCHEMBL6031221 0.87 KDR (0.73) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL10885507 0.86 KDR (0.78) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL9835641 0.86 KDR (0.78) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL5248618 0.86 KDR (0.58) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL2457115 0.85 KDR (0.76) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL31495074 0.85 KDR (0.76) KDRPDK1GRM4TRPV1NPSR1
SCHEMBL29759440 0.85 KDR (0.76) KDRPDK1GRM4TRPV1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 — — EP claimed
JP-2007504160-A — — 2007-03-01 — — JP claimed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 — — EP claimed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 — — WO claimed
US-4453969-A Thienylglyoxylonitrile oximino phenylcarbamates for the protection of crops against injury by herbicides CIBA-GEIGY CORPORATION (US) 1984-06-12 — — US claimed
US-10787443-B2 RAF-degrading conjugate compounds ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-09-29 — — US disclosed
CN-111718294-A Crystal form of medicine for treating intestinal cancer 北京康立生医药技术开发有限公司 2020-09-29 — — CN disclosed
EP-3615083-A1 RAF-DEGRADING CONJUGATE COMPOUNDS Quartz Therapeutics, Inc. (US) 2020-03-04 — — EP disclosed
US-20180346457-A1 RAF-DEGRADING CONJUGATE COMPOUNDS ZAMBONI CHEM SOLUTIONS INC. (CA) 2018-12-06 — — US disclosed
WO-2018200981-A1 RAF-DEGRADING CONJUGATE COMPOUNDS QUARTZ THERAPEUTICS, INC. (US) 2018-11-01 — — WO disclosed
EP-2915806-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF Shenyang Pharmaceutical University (CN) 2015-09-09 — — EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 — — US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 — — US disclosed
US-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors SANOFI (FR) 2003-06-19 — — US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 — — EP disclosed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 — — WO disclosed
EP-1255751-A2 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B OR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2002-11-13 — — EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 — — WO disclosed
WO-2001055130-A2 NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES AND THEIR USE AS LIGANDS FOR V1B AND V1A ARGININE-VASOPRESSIN RECEPTORS SANOFI-SYNTHELABO (FR) 2001-08-02 — — 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-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors AVPR1B, AVPR1A, AVPR2 KDR 50/4885PDK1 1742/4885GRM4 1226/4885
US-20180346457-A1 RAF-DEGRADING CONJUGATE COMPOUNDS BRAF, RAF1, ARAF KDR 716/4885PDK1 281/4885GRM4 4692/4885
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 KDR 39/4885PDK1 3080/4885GRM4 1171/4885
US-10787443-B2 RAF-degrading conjugate compounds BRAF, RAF1, ARAF KDR 716/4885PDK1 281/4885GRM4 4692/4885

“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.