SCHEMBL4157635

SCHEMBL4157635

Cc1cccc(-c2nc(-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
HDAC1 Q13547 1/20 0.40
JAK2 O60674 3/20 0.38
TNKS O95271 2/20 0.37
PARP1 P09874 1/20 0.37
AXL P30530 4/20 0.37
MERTK Q12866 4/20 0.37
TYRO3 Q06418 2/20 0.37
FLT3 P36888 1/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
MAP4K4 O95819 2/20 0.36
PRKCQ Q04759 2/20 0.35
PRKCD Q05655 2/20 0.35
GRM2 Q14416 1/20 0.35
NMT1 P30419 1/20 0.35
JAK1 P23458 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL3722585 1.00 HDAC1 (0.40) HDAC1JAK2TNKSPARP1AXL
SCHEMBL3722580 1.00 HDAC1 (0.40) HDAC1JAK2TNKSPARP1AXL
SCHEMBL4153901 0.88 TNKS (0.40) HDAC1JAK2TNKSPARP1AXL
SCHEMBL4153895 0.88 TNKS (0.40) HDAC1JAK2TNKSPARP1AXL
SCHEMBL4159713 0.88 TNKS (0.40) HDAC1JAK2TNKSPARP1AXL
SCHEMBL4158945 0.85 MAP3K11 (0.47) FLT3TGFBR1TGFBR2PRKCQPRKCD
SCHEMBL4168547 0.84 PRMT6 (0.41) JAK2TNKSFLT3TGFBR1TGFBR2
SCHEMBL4150896 0.83 TGFBR1 (0.38) HDAC1FLT3TGFBR1TGFBR2AKT1
SCHEMBL13046876 0.82 HDAC1 (0.42) HDAC1JAK2TNKSPARP1AXL
SCHEMBL4161336 0.81 TGFBR1 (0.43) TNKSPARP1TGFBR1TGFBR2PRKCQ

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
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
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
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 HDAC1 3723/4885JAK2 9/4885TNKS 1129/4885

“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.