SCHEMBL537948

SCHEMBL537948

c1ccc(CN2CCC3NNc4nc(NCCCN5CCCCC5)nc2c43)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.46
EHMT2 Q96KQ7 4/20 0.46
RCOR1 Q9UKL0 4/20 0.46
HRH3 Q9Y5N1 3/20 0.41
ACP1 P24666 3/20 0.38
SIGMAR1 Q99720 2/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SLC2A1 P11166 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
TSHR P16473 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
SCHEMBL2814505 0.92 KDM1A (0.46) KDM1AEHMT2RCOR1HRH3ACP1
SCHEMBL2816638 0.89 LMNA (0.39) KDM1AEHMT2RCOR1SIGMAR1
SCHEMBL537894 0.88 ALDH1A1 (0.38) KDM1AEHMT2RCOR1SLC2A1TSHR
SCHEMBL2809509 0.87 TYRO3 (0.42) MKNK1
SCHEMBL2812174 0.86 LMNA (0.51) KDM1AEHMT2RCOR1TSHR
SCHEMBL2811945 0.85 ACHE (0.38) HRH3HRH2HRH1
SCHEMBL2812003 0.85 KDM1A (0.47) KDM1AEHMT2RCOR1
SCHEMBL2812252 0.84 CSNK2A1 (0.36)
SCHEMBL2809589 0.84 CSNK2A1 (0.36)
SCHEMBL2814891 0.84 HRH2 (0.41) HRH3ACP1SIGMAR1HRH2HRH1

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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 KDM1A 3360/4885EHMT2 3441/4885RCOR1 3418/4885

“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.