SCHEMBL6180683

SCHEMBL6180683

CNC(=O)c1ccnc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.45
SLC6A9 P48067 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ATR Q13535 1/20 0.39
GAA P10253 1/20 0.39
SLC40A1 Q9NP59 2/20 0.38
PLK1 P53350 1/20 0.37
NUDT1 P36639 2/20 0.37
EGFR P00533 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
NPC1 O15118 1/20 0.36
PTPN11 Q06124 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5743790 0.84 CASP1 (0.44) CASP1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL24311969 0.82 GAA (0.44) CASP1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL18754294 0.82 ATR (0.43) CASP1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL18561982 0.82 CASP1 (0.43) CASP1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL30961407 0.79 SMN1; SMN2 (0.42) SLC6A9SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL6959623 0.78 SMN1; SMN2 (0.45) SLC6A9SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL1467988 0.78 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL1970174 0.78 ATR (0.56) SMN1; SMN2LMNAALDH1A1HPGDATR
SCHEMBL29486103 0.77 SLC6A9 (0.44) SLC6A9SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL23629748 0.77 SLC6A9 (0.44) SLC6A9SMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 EP disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 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 (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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CASP1 1062/4885SLC6A9 4747/4885SMN1; SMN2 4473/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 CASP1 1062/4885SLC6A9 4747/4885SMN1; SMN2 4473/4885

“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.