Sugi Predict

Sugi Predict / Compounds / SCHEMBL4157264

SCHEMBL4157264

SCHEMBL4157264

Cc1cccc(-c2nc(-c3cncc(-c4ccc(C(C)N)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.43
▸ TGFBR2 P37173 5/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CIT O14578 2/20 0.39
▸ PIP4K2A P48426 1/20 0.34
▸ PIP4K2B P78356 1/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK1 P49759 1/20 0.33

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
SCHEMBL3729500 0.87 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL4164082 0.86 TGFBR1 (0.45) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL3724172 0.86 TGFBR1 (0.56) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4152923 0.86 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL4161104 0.85 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL4155774 0.84 TGFBR1 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CIT
SCHEMBL4161124 0.84 TGFBR1 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CIT
SCHEMBL3801511 0.84 TGFBR1 (0.47) TGFBR1TGFBR2CYP3A4CYP2C8CIT
SCHEMBL3671159 0.84 TGFBR1 (0.45) TGFBR1TGFBR2CYP3A4CYP2C8MAP4K4
SCHEMBL4158011 0.83 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A

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 443/4885CYP3A4 111/4885

“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.