Sugi Predict

Sugi Predict / Compounds / SCHEMBL4150455

SCHEMBL4150455

SCHEMBL4150455

Cc1cccc(-c2nc(-c3cncc(-c4cccc(CNCC(=O)O)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.40
▸ TGFBR2 P37173 2/20 0.40
▸ VSIR Q9H7M9 1/20 0.40
▸ MAP4K4 O95819 2/20 0.37
▸ CHEK2 O96017 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ FES P07332 2/20 0.37
▸ ROS1 P08922 2/20 0.37
▸ FER P16591 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ IRAK1 P51617 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ PKN2 Q16513 2/20 0.37
▸ MARK2 Q7KZI7 2/20 0.37
▸ MINK1 Q8N4C8 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ SLK Q9H2G2 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ STK17A Q9UEE5 2/20 0.37

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
SCHEMBL4162407 0.92 TGFBR1 (0.41) TGFBR1TGFBR2VSIRMAP4K4CHEK2
SCHEMBL4156629 0.92 TGFBR1 (0.39) TGFBR1TGFBR2VSIRMAP4K4CHEK2
SCHEMBL3720781 0.88 TGFBR1 (0.40) TGFBR1TGFBR2VSIRCYP3A4CYP2C8
SCHEMBL28787418 0.88 TGFBR1 (0.40) TGFBR1TGFBR2MAP4K4CHEK2CDK1
SCHEMBL4161242 0.87 NOS3 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8NOS3
SCHEMBL4149178 0.86 VSIR (0.43) TGFBR1TGFBR2VSIRMAP4K4CHEK2
SCHEMBL3672347 0.86 CDK8 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8NOS3
SCHEMBL4165700 0.85 TGFBR1 (0.39) TGFBR1TGFBR2MAP4K4CHEK2CDK1
SCHEMBL4165608 0.84 TGFBR1 (0.40) TGFBR1TGFBR2MAP4K4CHEK2CDK1
SCHEMBL3727379 0.84 CDK8 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 — — CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 — — CN claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 — — CN disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 — — CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 TGFBR1 128/4885TGFBR2 443/4885VSIR 3811/4885

“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.