SCHEMBL3672671

SCHEMBL3672671

Cc1cccc(-c2nc(-c3cncc(C#CCN4CCN(C)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.39
TGFBR2 P37173 2/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
PRKCQ Q04759 5/20 0.33
PRKCD Q05655 4/20 0.33
ALK Q9UM73 1/20 0.33
TTK P33981 1/20 0.33
PRKCB P05771 2/20 0.32
LCK P06239 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCE Q02156 2/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 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
SCHEMBL4158028 0.87 TGFBR1 (0.41) TGFBR1TGFBR2CYP3A4CYP2C8NOS3
SCHEMBL4158945 0.82 MAP3K11 (0.47) TGFBR1TGFBR2CYP3A4PRKCQPRKCD
SCHEMBL3729277 0.81 PRKCQ (0.44) TGFBR1TGFBR2PRKCQPRKCDFLT3
SCHEMBL3665689 0.81 TTK (0.44) TGFBR1TGFBR2CYP3A4CYP2C8NOS3
SCHEMBL4155472 0.81 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4161491 0.80 TGFBR1 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL3728037 0.80 TGFBR1 (0.46) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4161342 0.79 TTK (0.46) TGFBR1TGFBR2TTKFLT3PTK2
SCHEMBL4161414 0.78 TGFBR1 (0.47) TGFBR1TGFBR2SRC
SCHEMBL4158665 0.78 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8PRKCQPRKCD

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
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
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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.