SCHEMBL2026264

SCHEMBL2026264

Cn1cc(C(=O)c2ccccc2)c2c(Cl)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SRC P12931 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR2F2 P24468 1/20 0.39
NTRK1 P04629 9/20 0.39
NR3C1 P04150 1/20 0.37
PDGFRB P09619 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1229639 0.83 SRC (0.36) SRCMEN1KMT2ANR2F2NTRK1
SCHEMBL12984829 0.82 NTRK1 (0.42) NTRK1
SCHEMBL4076506 0.78 NTRK1 (0.45) POLBNTRK1
SCHEMBL2023831 0.74 ALDH1A1 (0.47) POLBMEN1KMT2APDGFRBALDH1A1
SCHEMBL15265955 0.73 SRC (0.67) SRCMEN1KMT2ANR2F2LMNA
SCHEMBL1940820 0.72 PDGFRB (0.49) POLBSRCNTRK1PDGFRBLMNA
SCHEMBL6221334 0.71 PDGFRB (0.48) SRCNTRK1PDGFRB
Formaldehyde SCHEMBL2020497 0.71 ABCG2 (0.50) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL903214 0.70 ALDH1A1 (0.52) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL3704191 0.67 KMT2A (0.44) POLBMEN1KMT2AALDH1A1LMNA

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 POLB 146/4885SRC 833/4885MEN1 2453/4885

“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.