SCHEMBL5287616

SCHEMBL5287616

Cc1cc(N)c(C#N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 3/20 0.38
CD44 P16070 1/20 0.37
ALDH1A1 P00352 5/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL12414780 0.87 TSHR (0.41) TSHRCYP3A4MAPK1KDM4ECD44
SCHEMBL16320147 0.84 TSHR (0.37) TSHRCYP3A4MAPK1KDM4EALDH1A1
SCHEMBL7024058 0.83 TSHR (0.52) TSHRCYP3A4MAPK1KDM4ECD44
SCHEMBL406276 0.82 KHK (0.43) TSHRCYP3A4MAPK1KDM4ECD44
SCHEMBL17921475 0.82 TSHR (0.39) TSHRCYP3A4MAPK1KDM4EALDH1A1
SCHEMBL406316 0.82 CD44 (0.58) TSHRCYP3A4MAPK1KDM4ECD44
SCHEMBL404910 0.82 CD44 (0.58) TSHRCYP3A4KDM4ECD44ALDH1A1
SCHEMBL404670 0.82 EGLN2 (0.39) TSHRKDM4EALDH1A1USP2ADRB2
SCHEMBL6630371 0.81 KDM4E (0.43) TSHRCYP3A4MAPK1KDM4EALDH1A1
SCHEMBL8954330 0.81 TSHR (0.50) TSHRKDM4EALDH1A1USP2MEN1

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
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US 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
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 US disclosed
US-20170157178-A1 Cellular Compositions Used To Restore Stem Cell or Progenitor Cell Function and Methods Related Thereto UNIV EMORY (US) 2017-06-08 US disclosed
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2004-10-07 US disclosed
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2003-04-03 US disclosed
US-6448277-B2 ANTITUOR AGENTS, ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2002-09-10 US disclosed
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 US disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed
EP-0594883-B1 Imidazo(1,2-c) quinazoline derivatives as antihypertensives and anti dysurics NAT SCIENCE COUNCIL (TW) 1999-01-27 EP disclosed
US-5512677-A TREATING HYPERTENSION, DYSURIA NATIONAL SCIENCE COUNCIL (TW) 1996-04-30 US disclosed
US-5340814-A Hypotensive agents NATIONAL SCIENCE COUNCIL (TW) 1994-08-23 US disclosed
EP-0594883-A1 Imidazo(1,2-c) quinazoline derivatives as antihypertensives and anti dysurics NATIONAL SCIENCE COUNCIL (TW) 1994-05-04 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 TSHR 873/4885CYP3A4 4677/4885MAPK1 147/4885
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 TSHR 1442/4885CYP3A4 1477/4885MAPK1 4151/4885
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 TSHR 34/4885CYP3A4 3689/4885MAPK1 219/4885
US-20170157178-A1 Cellular Compositions Used To Restore Stem Cell or Progenitor Cell Function and Methods Related Thereto BMI1, DNMT1, DNMT3A TSHR 4649/4885CYP3A4 4880/4885MAPK1 2159/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR TSHR 31/4885CYP3A4 3705/4885MAPK1 221/4885
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 TSHR 31/4885CYP3A4 3703/4885MAPK1 243/4885

“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.