Sugi Predict

Sugi Predict / Compounds / SCHEMBL6326975

SCHEMBL6326975

SCHEMBL6326975

O=CNc1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ GSK3B P49841 3/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TLK2 Q86UE8 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 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
SCHEMBL6326981 1.00 KDR (0.42) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL6320111 0.89 IDO1 (0.39) KDRIDO1TDP1ALDH1A1TDO2
SCHEMBL6320103 0.89 IDO1 (0.39) KDRIDO1TDP1ALDH1A1TDO2
SCHEMBL6320376 0.88 KDR (0.48) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL6320369 0.88 KDR (0.48) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL20807203 0.86 FLT4 (0.39) KDRALDH1A1MAPTMEN1LMNA
SCHEMBL6319657 0.85 KDR (0.43) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL6319003 0.85 PIM1 (0.50) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL6320473 0.85 PIM1 (0.50) KDRIDO1TDP1ALDH1A1SERPINE1
SCHEMBL6319654 0.85 KDR (0.43) KDRIDO1TDP1ALDH1A1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 — — EP 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
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 — — WO 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 (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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 KDR 448/4885IDO1 232/4885TDP1 1212/4885

“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.