SCHEMBL4155519

SCHEMBL4155519

Cc1cccc(-c2cc(-c3ccc(CN(C)CCO)cc3)c3cc[nH]c3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
JAK1 P23458 7/20 0.40
EGFR P00533 3/20 0.40
FLT1 P17948 2/20 0.40
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
NEK1 Q96PY6 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
CHEK1 O14757 1/20 0.36
CSF1R P07333 1/20 0.35
TGFBR2 P37173 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
SCHEMBL4162033 0.93 TGFBR1 (0.42) TGFBR1CYP3A4CYP2C8JAK1EGFR
SCHEMBL4163539 0.92 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8JAK1EGFR
SCHEMBL4157078 0.86 CYP3A4 (0.41) TGFBR1CYP3A4CYP2C8JAK1PDCD1
SCHEMBL4155020 0.80 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8JAK1TGFBR2
SCHEMBL4155882 0.80 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8JAK1CD274
SCHEMBL4153816 0.79 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8JAK1EGFR
SCHEMBL27808359 0.78 TGFBR1 (0.39) TGFBR1CYP3A4CYP2C8JAK1NEK1
SCHEMBL3664985 0.78 TGFBR1 (0.47) TGFBR1CYP3A4CYP2C8JAK1EGFR
SCHEMBL3803691 0.77 TGFBR1 (0.43) TGFBR1CYP3A4CYP2C8JAK1NEK1
SCHEMBL4155516 0.76 PDCD1 (0.38) TGFBR1CYP3A4CYP2C8EGFRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed

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.