SCHEMBL3786537

SCHEMBL3786537

CNC(=O)c1ccc2ncc(C(=O)O)c(Nc3ccc(C(C)C)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.50
NUDT1 P36639 1/20 0.47
MELK Q14680 3/20 0.46
EGFR P00533 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CREBBP Q92793 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL3785960 0.89 PAX8 (0.52) PAX8NUDT1MELKEGFRCREBBP
SCHEMBL3659264 0.88 PAX8 (0.55) PAX8NUDT1MELKEGFRMEN1
SCHEMBL3792946 0.88 NUDT1 (0.60) PAX8NUDT1EGFRSMN1; SMN2CREBBP
SCHEMBL403679 0.87 PAX8 (0.52) PAX8NUDT1EGFRMEN1KMT2A
SCHEMBL3792028 0.86 PAX8 (0.65) PAX8MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL29744204 0.85 CSF1R (0.55) PAX8NUDT1EGFRSMN1; SMN2CREBBP
SCHEMBL401899 0.85 CSF1R (0.55) PAX8NUDT1EGFRSMN1; SMN2CREBBP
Hydrochloric Acid SCHEMBL15094014 0.84 PAX8 (0.56) PAX8NUDT1EGFRSMN1; SMN2CREBBP
SCHEMBL3785514 0.84 PAX8 (0.49) PAX8NUDT1EGFRMEN1KMT2A
SCHEMBL23589718 0.82 NUDT1 (0.68) PAX8NUDT1MEN1KMT2ACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US claimed
WO-2013103317-A1 QUINOLINE COMPOUNDS WHICH ARE ANTI-ANGIOGENIC INTEGRIN ALPHA5 BETAL INHIBITORS FOR USE IN THE TREATMENT OF FIBROSIS OR FIBROSIS-RELATED DISEASES CLANOTECH AB (SE) 2013-07-11 WO claimed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO claimed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-9376393-B2 Quinoline compounds which are anti-angiogenic integrin alpha5 beta1 inhibitors for use in the treatment of fibrosis or fibrosis-related diseases CLANOTECH AB (SE) 2016-06-28 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
US-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases CLANOTECH AB (SE) 2015-01-29 US disclosed
WO-2013103317-A1 QUINOLINE COMPOUNDS WHICH ARE ANTI-ANGIOGENIC INTEGRIN ALPHA5 BETAL INHIBITORS FOR USE IN THE TREATMENT OF FIBROSIS OR FIBROSIS-RELATED DISEASES CLANOTECH AB (SE) 2013-07-11 WO disclosed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 WO disclosed
WO-2010133672-A1 DERIVATIVES OF QUINOLINE-3-CARBOXYLIC ACID AND THEIR MEDICAL USE CLANOTECH AB (SE) 2010-11-25 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 (1 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-20150031723-A1 Quinoline Compounds Which Are Anti-Angiogenic Integrin Alpha5 Beta1 Inhibitors for Use in the Treatment of Fibrosis or Fibrosis-Related Diseases ITGB5, ITGA5, ITGAL PAX8 381/4885NUDT1 3611/4885MELK 2887/4885

“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.