SCHEMBL589380

SCHEMBL589380

Cc1ccc(C(=O)Cl)cc1I

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.45
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TPMT P51580 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ LMNA P02545 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
SCHEMBL31697364 1.00 MTOR (0.45) MTORMAPTTDP1CES2CES1
SCHEMBL3561298 0.83 CES2 (0.37) MAPTTDP1CES2CES1HTT
SCHEMBL590030 0.81 TPMT (0.52) MTORMAPTTDP1SMN1; SMN2TPMT
SCHEMBL29602624 0.81 TPMT (0.52) MTORMAPTTDP1SMN1; SMN2TPMT
SCHEMBL17325043 0.81 MTOR (0.50) MTORMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL25779809 0.80 TPMT (0.39) MTORCES2CES1TPMTALDH1A1
SCHEMBL40769 0.80 SMN1; SMN2 (0.55) MAPTTDP1CES2CES1HTT
SCHEMBL30475402 0.80 SMN1; SMN2 (0.55) MAPTTDP1CES2CES1HTT
SCHEMBL1233265 0.79 MTOR (0.49) MTORMAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL16891406 0.79 MTOR (0.45) MTORMAPTTDP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988389-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2018-06-05 — — US claimed
US-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2018-02-15 — — US claimed
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF MYLAN API US LLC 2016-12-15 — — US claimed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 — — WO claimed
US-9493473-B2 Processes for making ponatinib and intermediates thereof APICORE US LLC (US) 2016-11-15 — — US claimed
CN-103044432-B Bicyclic heteroaryl compounds 阿里亚德医药股份有限公司 2016-08-03 — — CN claimed
US-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-04-21 — — US claimed
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE, LLC (US) 2014-11-20 — — US claimed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 — — US claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 — — US disclosed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 — — US disclosed
US-12440494-B2 Compounds useful for inhibiting RAF dimers ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2025-10-14 — — US disclosed
US-12398142-B2 Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases EMORY UNIVERSITY (US) 2025-08-26 — — US disclosed
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis THE UNIVERSITY OF CHICAGO (US) 2025-04-22 — — US disclosed
CN-1087291-C N-hydroxyureas as anti-inflammatory agents PFIZER (US) 2002-07-10 — — CN disclosed
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 — — EP disclosed
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 — — US disclosed
CN-1191531-A N-hydroxyureas as antiinflammatory agents PFIZER (US) 1998-08-26 — — CN disclosed
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 — — EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 — — 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 (10 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-20180044345-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 MTOR 237/4885MAPT 4409/4885TDP1 614/4885
US-20160362411-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 MTOR 237/4885MAPT 4409/4885TDP1 614/4885
US-12440494-B2 Compounds useful for inhibiting RAF dimers BRAF, RAF1, NRAS MTOR 934/4885MAPT 4072/4885TDP1 1623/4885
US-20160108053-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 MTOR 195/4885MAPT 4157/4885TDP1 646/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG MTOR 488/4885MAPT 4109/4885TDP1 3147/4885
US-20140343282-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF ABL1, KRAS, ROS1 MTOR 195/4885MAPT 4157/4885TDP1 646/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 MTOR 3713/4885MAPT 2300/4885TDP1 3904/4885
US-12281060-B2 Remodilins for airway remodeling and organ fibrosis MYLK, MFAP1, FIBP MTOR 3442/4885MAPT 4699/4885TDP1 3726/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 MTOR 169/4885MAPT 2333/4885TDP1 1725/4885
US-12398142-B2 Abelson non-tyrosine kinase compounds for the treatment of neurodegenerative diseases ABL2, ABL1, FYN MTOR 644/4885MAPT 174/4885TDP1 647/4885

“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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