SCHEMBL4159713

SCHEMBL4159713

Cc1cccc(-c2cc(-c3cncc(-c4ccc(CN5CC[C@H](N(C)C)C5)cc4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
PARP1 P09874 1/20 0.40
JAK2 O60674 3/20 0.39
GRM2 Q14416 1/20 0.39
AXL P30530 3/20 0.39
MERTK Q12866 3/20 0.39
FLT3 P36888 2/20 0.39
TYRO3 Q06418 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
TGFBR1 P36897 1/20 0.38
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
ABL1 P00519 1/20 0.37
INSR P06213 1/20 0.37
CDK2 P24941 1/20 0.37
MAP3K11 Q16584 1/20 0.37
JAK1 P23458 4/20 0.37
MELK Q14680 2/20 0.36

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
SCHEMBL4153901 1.00 TNKS (0.40) TNKSPARP1JAK2GRM2AXL
SCHEMBL4153895 1.00 TNKS (0.40) TNKSPARP1JAK2GRM2AXL
SCHEMBL4157635 0.88 HDAC1 (0.40) TNKSPARP1JAK2GRM2AXL
SCHEMBL3722580 0.88 HDAC1 (0.40) TNKSPARP1JAK2GRM2AXL
SCHEMBL3722585 0.88 HDAC1 (0.40) TNKSPARP1JAK2GRM2AXL
SCHEMBL4156897 0.85 CYP3A4 (0.41) JAK2FLT3TYRO3CYP3A4CYP2C8
SCHEMBL3796221 0.84 PRKCQ (0.43) TNKSJAK2FLT3CYP3A4CYP2C8
SCHEMBL4156276 0.82 MAP3K11 (0.42) PARP1FLT3CYP3A4CYP2C8TGFBR1
SCHEMBL4161605 0.82 MAP3K11 (0.43) FLT3CYP3A4CYP2C8TGFBR1IKBKB
SCHEMBL3717807 0.81 JAK2 (0.39) TNKSPARP1JAK2GRM2AXL

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 4 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
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
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 TNKS 1129/4885PARP1 2067/4885JAK2 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.