SCHEMBL3663384

SCHEMBL3663384

CNCc1ccc(-c2cncc(-c3nc(-c4cccc(C)n4)nc4[nH]ccc34)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.43
TGFBR2 P37173 2/20 0.43
NOS1 P29475 3/20 0.42
NOS3 P29474 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
WNT3A P56704 2/20 0.33
HDAC1 Q13547 1/20 0.32
PRMT6 Q96LA8 2/20 0.32
EPHX2 P34913 1/20 0.32
CYP2A6 P11509 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL4161242 0.91 NOS3 (0.46) TGFBR1TGFBR2NOS1NOS3CYP3A4
SCHEMBL4164082 0.90 TGFBR1 (0.45) TGFBR1TGFBR2NOS1NOS3CYP3A4
SCHEMBL4158011 0.89 TGFBR1 (0.44) TGFBR1TGFBR2CYP3A4CYP2C8KLKB1
SCHEMBL3804068 0.88 TGFBR1 (0.41) TGFBR1TGFBR2CYP3A4CYP2C8KLKB1
SCHEMBL4161745 0.88 TGFBR1 (0.42) TGFBR1TGFBR2NOS1NOS3CYP3A4
SCHEMBL4161336 0.88 TGFBR1 (0.43) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL3729500 0.87 TGFBR1 (0.48) TGFBR1TGFBR2CYP3A4CYP2C8PIP4K2A
SCHEMBL4162407 0.87 TGFBR1 (0.41) TGFBR1TGFBR2CYP3A4CYP2C8KLKB1
SCHEMBL3724172 0.86 TGFBR1 (0.56) TGFBR1TGFBR2CYP3A4CYP2C8
SCHEMBL4152923 0.86 TGFBR1 (0.53) TGFBR1TGFBR2CYP3A4CYP2C8CYP2A6

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 10 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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 443/4885NOS1 3189/4885

“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.