SCHEMBL4167288

SCHEMBL4167288

CN1CCN(Cc2ccc(-c3cncc(-c4nc(-c5ccccn5)nc5[nH]ccc45)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 6/20 0.49
IKBKB O14920 2/20 0.49
CHUK O15111 2/20 0.49
ABL1 P00519 2/20 0.49
INSR P06213 2/20 0.49
CDK2 P24941 2/20 0.49
FLT3 P36888 2/20 0.49
TNIK Q9UKE5 10/20 0.47
KCNH2 Q12809 3/20 0.46
SGK1 O00141 1/20 0.46
AURKA O14965 1/20 0.46
PRKAB2 O43741 1/20 0.46
ROCK2 O75116 1/20 0.46
NTRK1 P04629 1/20 0.46
LCK P06239 1/20 0.46
CDK1 P06493 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
CYP3A4 P08684 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL4165402 0.92 PRKCQ (0.42) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL4158945 0.88 MAP3K11 (0.47) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL4155524 0.84 MAP3K11 (0.47) MAP3K11ABL1KCNH2LRRK2
SCHEMBL3729277 0.81 PRKCQ (0.44) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL2305188 0.80 TNIK (0.44) ABL1FLT3TNIKAKT1AKT2
SCHEMBL4150896 0.79 TGFBR1 (0.38) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL4168547 0.79 PRMT6 (0.41) MAP3K11IKBKBCHUKABL1INSR
SCHEMBL3752954 0.78 ALDH1A1 (0.46) ABL1TNIKKCNH2AKT1AKT2
SCHEMBL2235911 0.77 HRH4 (0.48) ABL1TNIKKCNH2AKT1AKT2
SCHEMBL3725907 0.76 TNIK (0.46) MAP3K11IKBKBCHUKABL1INSR

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-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
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 MAP3K11 743/4885IKBKB 1797/4885CHUK 713/4885

“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.