SCHEMBL2017992

SCHEMBL2017992

Nc1cc(Cl)cc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.57
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
IRAK4 Q9NWZ3 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
SCHEMBL2018256 0.88 BTK (0.55) BTK
SCHEMBL2018626 0.87 BTK (0.54) BTK
SCHEMBL2022001 0.86 BTK (0.60) BTKCDC7ROCK2MAP4K4PIM1
SCHEMBL2024535 0.85 BTK (0.64) BTKCDC7ROCK2MAP4K4PIM1
SCHEMBL2024239 0.84 BTK (0.60) BTKCDC7ROCK2MAP4K4PIM1
SCHEMBL2020900 0.84 BTK (0.46) BTK
SCHEMBL2019287 0.81 EGFR (0.59) BTK
Lithium Ion SCHEMBL2019675 0.81 BTK (0.54) BTKCDC7ROCK2MAP4K4PIM1
SCHEMBL12635826 0.81 BTK (0.56) BTKCDC7ROCK2MAP4K4PIM1
SCHEMBL2019679 0.81 EGFR (0.58) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
US-8580803-B2 Substituted pyrrolo-aminopyrimidine compounds ARQULE, INC. (US) 2013-11-12 US disclosed
EP-2519525-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082273-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
WO-2011082273-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds DPYD, TYMP, DHFR BTK 1600/4885CDC7 996/4885ROCK2 2918/4885

“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.