SCHEMBL2810360

SCHEMBL2810360

CC(=O)NCCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
EHMT2 Q96KQ7 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC9 Q9UKV0 5/20 0.36
HDAC5 Q9UQL6 5/20 0.36
MTNR1A P48039 4/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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 0.85 ALDH1A1 (0.38) EHMT2ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL2811945 0.84 ACHE (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2812003 0.83 KDM1A (0.47) EHMT2
SCHEMBL2816638 0.82 LMNA (0.39) EHMT2MEN1KMT2A
SCHEMBL2812997 0.82 FLT3 (0.36) ALDH1A1KDM4EMEN1GAAHPGD
SCHEMBL2814443 0.82 RXFP1 (0.35)
SCHEMBL2812009 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2808425 0.81 MRGPRX1 (0.39) ADORA2BADORA3ADORA2AADORA1CYP2D6
SCHEMBL2810531 0.81 MRGPRX1 (0.48) MEN1KMT2A
SCHEMBL2811035 0.81 ACHE (0.37) MEN1KMT2ACYP1A2CYP2C19

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 HDAC3 1889/4885HDAC4 2007/4885HDAC1 1518/4885

“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.