SCHEMBL4158028

SCHEMBL4158028

Cc1cccc(-c2cc(-c3cncc(C#CCN4CCN(C)CC4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
PRKCQ Q04759 9/20 0.36
PRKCD Q05655 8/20 0.36
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
ABL1 P00519 1/20 0.35
INSR P06213 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
MAP3K11 Q16584 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRKCB P05771 3/20 0.34
PRKCH P24723 3/20 0.34
PRKCE Q02156 3/20 0.34
LCK P06239 2/20 0.34
LYN P07948 1/20 0.33
SRC P12931 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
SCHEMBL4158665 0.91 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL3672671 0.87 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4150333 0.87 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8NOS3NOS1
SCHEMBL4164617 0.82 TGFBR1 (0.45) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4155580 0.81 PRKCQ (0.47) TGFBR1CYP3A4CYP2C8PRKCQPRKCD
SCHEMBL4149228 0.81 CYP3A4 (0.46) TGFBR1CYP3A4CYP2C8FLT3JAK2
SCHEMBL4165292 0.75 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8JAK1TGFBR2
SCHEMBL4151363 0.74 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4153898 0.74 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8TGFBR2
SCHEMBL4157242 0.74 TGFBR1 (0.50) TGFBR1CYP3A4CYP2C8JAK1TGFBR2

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.