Sugi Predict

Sugi Predict / Compounds / SCHEMBL4150896

SCHEMBL4150896

SCHEMBL4150896

Cc1cccc(-c2nc(-c3cncc(-c4ccc(CN5CCN(C(C)C)CC5)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ IKBKB O14920 2/20 0.38
▸ CHUK O15111 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ INSR P06213 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ MAP3K11 Q16584 2/20 0.38
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ PIK3CG P48736 3/20 0.37
▸ PIK3R1 P27986 2/20 0.37
▸ TNIK Q9UKE5 3/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SGK1 O00141 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35

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
SCHEMBL4163137 0.93 TGFBR1 (0.38) TGFBR1TGFBR2PIK3CDPIK3CAPIK3CB
SCHEMBL4158945 0.91 MAP3K11 (0.47) TGFBR1TGFBR2IKBKBCHUKABL1
SCHEMBL4168547 0.89 PRMT6 (0.41) TGFBR1TGFBR2IKBKBCHUKABL1
SCHEMBL4153850 0.88 TGFBR1 (0.40) TGFBR1TGFBR2KCNH2IGF1RCYP3A4
SCHEMBL4156276 0.87 MAP3K11 (0.42) TGFBR1IKBKBCHUKABL1INSR
SCHEMBL3729277 0.84 PRKCQ (0.44) TGFBR1TGFBR2IKBKBCHUKABL1
SCHEMBL3722580 0.83 HDAC1 (0.40) TGFBR1TGFBR2FLT3HDAC1AKT1
SCHEMBL4157635 0.83 HDAC1 (0.40) TGFBR1TGFBR2FLT3HDAC1AKT1
SCHEMBL3722585 0.83 HDAC1 (0.40) TGFBR1TGFBR2FLT3HDAC1AKT1
SCHEMBL4164082 0.83 TGFBR1 (0.45) TGFBR1TGFBR2SGK1CYP3A4

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 443/4885IKBKB 1797/4885

“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.