Sugi Predict

Sugi Predict / Compounds / SCHEMBL4485377

SCHEMBL4485377

SCHEMBL4485377

CCCN(CCC)CC(=O)N(C)c1ccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ SLC6A9 P48067 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ SENP1 Q9P0U3 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

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
SCHEMBL4485381 1.00 ALDH1A1 (0.35) ALDH1A1SLC6A9RXFP1KDRPRKAA2
SCHEMBL4491638 0.97 KDR (0.35) ALDH1A1SLC6A9RXFP1KDRPRKAA2
SCHEMBL4491634 0.97 KDR (0.35) ALDH1A1SLC6A9RXFP1KDRPRKAA2
SCHEMBL4492760 0.93 SLC6A9 (0.37) ALDH1A1SLC6A9RXFP1KDRSENP1
SCHEMBL4495635 0.93 ALDH1A1 (0.35) ALDH1A1SLC6A9RXFP1KDRPYGL
SCHEMBL4492768 0.93 SLC6A9 (0.37) ALDH1A1SLC6A9RXFP1KDRSENP1
SCHEMBL4491892 0.93 ALDH1A1 (0.36) ALDH1A1SLC6A9RXFP1KDRPRKAA2
SCHEMBL4491894 0.93 ALDH1A1 (0.36) ALDH1A1SLC6A9RXFP1KDRPRKAA2
SCHEMBL4500472 0.91 ALDH1A1 (0.37) ALDH1A1SLC6A9RXFP1KDRPYGL
SCHEMBL4500471 0.91 ALDH1A1 (0.37) ALDH1A1SLC6A9RXFP1KDRPYGL

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-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 — — US claimed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 — — US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ALDH1A1 2036/4885SLC6A9 2185/4885RXFP1 425/4885

“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.