SCHEMBL12329568

SCHEMBL12329568

Cc1cc(Cl)cc(I)c1N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CD44 P16070 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SCN4A P35499 2/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ CES1 P23141 1/20 0.31
▸ ATP4A P20648 1/20 0.30
▸ ATP4B P51164 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
SCHEMBL203946 0.82 CYP3A4 (0.58) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL11129317 0.82 CYP3A4 (0.45) CYP3A4TP53ALDH1A1TSHRTDP1
Hydrochloric Acid SCHEMBL4006326 0.79 CYP3A4 (0.55) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL30462201 0.75 CD44 (0.44) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL31213263 0.75 CYP3A4 (0.52) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL29066927 0.75 CYP3A4 (0.43) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL6624352 0.75 KDM4E (0.45) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL1196837 0.75 CYP3A4 (0.52) CYP3A4TP53ALDH1A1TSHRTDP1
SCHEMBL2766389 0.75 CA1 (0.52) CYP3A4TP53ALDH1A1TSHRCA1
SCHEMBL4704594 0.75 CYP3A4 (0.40) CYP3A4TP53ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417781-B Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2023-08-29 — — CN claimed
CN-115417781-A Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2022-12-02 — — CN claimed
CN-115417781-B Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2023-08-29 — — CN disclosed
CN-115417781-B Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2023-08-29 — — CN disclosed
CN-115417781-A Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2022-12-02 — — CN disclosed
CN-115417781-A Method for preparing chlorantraniliprole intermediate K amine 西安凯立新材料股份有限公司 2022-12-02 — — CN disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 — — US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 — — US disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 — — US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 — — US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 — — US disclosed
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-09 — — US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 — — US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 — — US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 — — WO disclosed
WO-2010018481-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC. (US) 2010-02-18 — — WO disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 — — US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 — — 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 (2 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-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 CYP3A4 4165/4885TP53 68/4885ALDH1A1 1084/4885
US-20130116234-A1 ARYL-QUINOLINE DERIVATIVES FABP1, FABP4, FABP5 CYP3A4 644/4885TP53 4320/4885ALDH1A1 928/4885

“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.

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