SCHEMBL4155580

SCHEMBL4155580

Cc1cccc(-c2cc(-c3cncc(-c4cccc(CN5CCN(C)CC5)c4)c3)c3cc[nH]c3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 5/20 0.47
PRKCD Q05655 4/20 0.47
FLT3 P36888 3/20 0.43
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
ABL1 P00519 2/20 0.43
INSR P06213 2/20 0.43
CDK2 P24941 2/20 0.43
MAP3K11 Q16584 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C8 P10632 1/20 0.41
TGFBR1 P36897 1/20 0.41
TNIK Q9UKE5 5/20 0.40
KIT P10721 2/20 0.40
CDK8 P49336 1/20 0.40
SGK1 O00141 1/20 0.39
AURKA O14965 1/20 0.39
PRKAB2 O43741 1/20 0.39
ROCK2 O75116 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL4156662 0.91 PRKCQ (0.48) PRKCQPRKCDCYP3A4CYP2C8TGFBR1
SCHEMBL3729277 0.86 PRKCQ (0.44) PRKCQPRKCDFLT3IKBKBCHUK
SCHEMBL4159244 0.84 TGFBR1 (0.45) PRKCQPRKCDCYP3A4CYP2C8TGFBR1
SCHEMBL4158256 0.84 CDK8 (0.49) CYP3A4CYP2C8TGFBR1CDK8SGK1
SCHEMBL4155004 0.84 CDK8 (0.49) IKBKBCHUKCYP3A4CYP2C8TGFBR1
SCHEMBL4156276 0.83 MAP3K11 (0.42) PRKCQPRKCDFLT3IKBKBCHUK
SCHEMBL3796221 0.83 PRKCQ (0.43) PRKCQPRKCDFLT3IKBKBCHUK
SCHEMBL3804408 0.83 TGFBR1 (0.46) CYP3A4CYP2C8TGFBR1CDK8
SCHEMBL3725450 0.81 NMT1 (0.41) PRKCQPRKCDKITAOC3KDR
SCHEMBL4158028 0.81 TGFBR1 (0.41) PRKCQPRKCDFLT3IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN 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
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 PRKCQ 1524/4885PRKCD 1715/4885FLT3 49/4885

“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.