SCHEMBL3433530

SCHEMBL3433530

O=C1NC(c2ccc(Nc3ncc4ccn(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2)CN2C=CCCC12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.45
JAK2 O60674 11/20 0.42
BRD4 O60885 11/20 0.42
STAT6 P42226 5/20 0.42
CDK4 P11802 2/20 0.39
AURKA O14965 1/20 0.39
JAK1 P23458 1/20 0.39
BRD2 P25440 1/20 0.39
JAK3 P52333 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCND2 P30279 1/20 0.38

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
SCHEMBL13746448 0.89 RPS6KA3 (0.45) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL3433531 0.83 RPS6KA3 (0.44) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1655215 0.81 RPS6KA3 (0.48) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1655214 0.81 RPS6KA3 (0.48) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1656242 0.80 RPS6KA3 (0.47) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1655290 0.80 RPS6KA3 (0.47) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL1655288 0.80 RPS6KA3 (0.47) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL4283758 0.79 STAT6 (0.58) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL31061211 0.79 RPS6KA3 (0.53) RPS6KA3JAK2BRD4STAT6CDK4
SCHEMBL29439968 0.79 RPS6KA3 (0.53) RPS6KA3JAK2BRD4STAT6CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 RPS6KA3 303/4885JAK2 2/4885BRD4 964/4885

“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.