SCHEMBL4159819

SCHEMBL4159819

CCOc1cncc(-c2cc(-c3cccc(C)n3)nc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TGFBR2 P37173 2/20 0.38
S1PR1 P21453 1/20 0.36
GRM5 P41594 5/20 0.36
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35
HPGDS O60760 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
THRB P10828 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP2A6 P11509 1/20 0.34
NUDT1 P36639 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
SCHEMBL3802774 0.88 CYP3A4 (0.51) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4161810 0.85 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4154021 0.82 CYP3A4 (0.47) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4151363 0.81 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4153898 0.81 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL4157242 0.81 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8CYP11B1CYP11B2
SCHEMBL3794751 0.81 TGFBR1 (0.52) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4158344 0.79 TGFBR1 (0.48) TGFBR1CYP3A4CYP2C8TGFBR2CYP2A6
SCHEMBL4168756 0.79 TGFBR1 (0.58) TGFBR1CYP3A4CYP2C8CYP11B1TGFBR2
SCHEMBL4158048 0.78 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8TGFBR2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US 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 128/4885CYP3A4 111/4885CYP2C8 1297/4885

“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.