Sugi Predict

Sugi Predict / Compounds / SCHEMBL6326901

SCHEMBL6326901

SCHEMBL6326901

N=C(N)c1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.40
▸ PRSS1 P07477 3/20 0.39
▸ PLG P00747 2/20 0.39
▸ PLAT P00750 2/20 0.39
▸ KLK1 P06870 2/20 0.39
▸ F2 P00734 2/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ PDPK1 O15530 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ HPN P05981 1/20 0.38
▸ HGFAC Q04756 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ IDO1 P14902 2/20 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
SCHEMBL6318906 0.92 PDPK1 (0.39) PDPK1TDP1KDRIDO1AKT1
SCHEMBL6319465 0.89 PARP1 (0.45) PDPK1KDRIDO1AKT2
SCHEMBL6321984 0.89 PARP1 (0.45) PDPK1KDRIDO1AKT2
SCHEMBL6319473 0.87 GSK3B (0.47) TDP1
SCHEMBL6319477 0.87 GSK3B (0.47) TDP1
SCHEMBL6327687 0.86 TDP1 (0.39) PDPK1TDP1KDRIDO1TDO2
SCHEMBL6320960 0.86 PDPK1 (0.46) PDPK1TDP1KDRIDO1TDO2
SCHEMBL6320711 0.86 PDPK1 (0.46) PDPK1TDP1KDRIDO1TDO2
SCHEMBL6406845 0.85 KDR (0.43) PDPK1TDP1KDRIDO1AKT1
SCHEMBL6320239 0.85 TDP1 (0.38) F10TDP1KDRIDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 — — US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 — — US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 — — 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 (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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 PLAU 4216/4885PRSS1 1594/4885PLG 3733/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 PLAU 4276/4885PRSS1 4351/4885PLG 4713/4885

“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.