SCHEMBL2812003

SCHEMBL2812003

CN(C)CCCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.47
EHMT2 Q96KQ7 14/20 0.47
RCOR1 Q9UKL0 14/20 0.44
EZH2 Q15910 2/20 0.41
PRMT1 Q99873 2/20 0.41
KMT5A Q9NQR1 1/20 0.41

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
SCHEMBL537894 0.90 ALDH1A1 (0.38) KDM1AEHMT2RCOR1
SCHEMBL2811945 0.85 ACHE (0.38)
SCHEMBL537948 0.85 KDM1A (0.46) KDM1AEHMT2RCOR1
SCHEMBL2816638 0.83 LMNA (0.39) KDM1AEHMT2RCOR1
SCHEMBL2814505 0.83 KDM1A (0.46) KDM1AEHMT2RCOR1
SCHEMBL2814443 0.83 RXFP1 (0.35)
SCHEMBL2810360 0.83 HDAC3 (0.36) EHMT2
SCHEMBL2808425 0.82 MRGPRX1 (0.39)
SCHEMBL2812009 0.82 ALDH1A1 (0.38)
SCHEMBL2810531 0.82 MRGPRX1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.