SCHEMBL2813907

SCHEMBL2813907

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCNC(C)=O)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
EHMT2 Q96KQ7 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
EHMT1 Q9H9B1 1/20 0.41
CACNA1G O43497 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNA1I Q9P0X4 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2812157 0.88 SMN1; SMN2 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2814452 0.88 SMN1; SMN2 (0.41) EHMT2SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL2808272 0.87 ACHE (0.46) EHMT2CACNA1GCACNA1HCACNA1ISIGMAR1
SCHEMBL2814240 0.86 ACHE (0.39) EHMT2SIGMAR1MEN1KMT2AACHE
SCHEMBL2812219 0.85 MAPT (0.42) EHMT2SMN1; SMN2MEN1KMT2AACHE
SCHEMBL2812911 0.85 MAPT (0.38) EHMT2SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL2810354 0.85 MAPT (0.39) EHMT2SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL2816710 0.85 EHMT2 (0.43) EHMT2SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL2809346 0.84 SIGMAR1 (0.38) CACNA1GCACNA1HCACNA1ISIGMAR1MEN1
SCHEMBL2814133 0.84 ACHE (0.43) EHMT2CACNA1GCACNA1HCACNA1ISIGMAR1

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.