SCHEMBL4501476

SCHEMBL4501476

CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.42
LMNA P02545 1/20 0.39
PTGES O14684 1/20 0.37
CHEK1 O14757 1/20 0.36
BRAF P15056 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
MEP1B Q16820 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL4501472 1.00 ROCK2 (0.42) ROCK2LMNAPTGESCHEK1BRAF
SCHEMBL4497749 0.91 ROCK2 (0.48) ROCK2CHEK1F2PLGPLAU
SCHEMBL4497753 0.91 ROCK2 (0.48) ROCK2CHEK1F2PLGPLAU
SCHEMBL5785828 0.86 CHEK1 (0.43) ROCK2LMNAPTGESCHEK1ALDH1A1
SCHEMBL4505424 0.86 PTGES (0.38) ROCK2PTGESMEN1KMT2AKDM1A
SCHEMBL4504446 0.86 ACP1 (0.41) ROCK2PTGESKDM1ARCOR1
SCHEMBL3141992 0.86 PTGES (0.40) ROCK2PTGESMEP1BKMT2APOLB
SCHEMBL5785827 0.86 CHEK1 (0.43) ROCK2LMNAPTGESCHEK1ALDH1A1
SCHEMBL4505426 0.86 PTGES (0.38) ROCK2PTGESMEN1KMT2AKDM1A
SCHEMBL3141983 0.86 PTGES (0.40) ROCK2PTGESMEP1BKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ROCK2 392/4885LMNA 1884/4885PTGES 1601/4885

“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.