SCHEMBL3667334

SCHEMBL3667334

Cc1cccc(-c2nc(-c3cncc(C4=CCCCC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.43
TGFBR2 P37173 5/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
PSMB5 P28074 2/20 0.35
TDP1 Q9NUW8 1/20 0.32
CYP2A6 P11509 1/20 0.32
PIM1 P11309 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL4156960 0.97 TGFBR1 (0.43) TGFBR1TGFBR2JAK2JAK1JAK3
SCHEMBL3732917 0.87 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8PIM1
SCHEMBL4159298 0.84 TGFBR1 (0.41) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3729500 0.82 TGFBR1 (0.48) TGFBR1TGFBR2JAK2CYP3A4CYP2C8
SCHEMBL3723221 0.82 TGFBR1 (0.50) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL4156975 0.82 TGFBR1 (0.47) TGFBR1TGFBR2JAK2JAK1JAK3
SCHEMBL4152923 0.81 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL4150805 0.81 TGFBR1 (0.41) TGFBR1TGFBR2JAK1
SCHEMBL4165337 0.80 TGFBR1 (0.52) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6
SCHEMBL3722185 0.80 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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 128/4885TGFBR2 443/4885JAK2 9/4885

“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.