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SCHEMBL8963880

SCHEMBL8963880

CN(Cc1ccccc1)C(=O)c1cnc(C(=O)c2cccnc2N)s1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.59
▸ HDAC3 O15379 2/20 0.59
▸ KMT2A Q03164 3/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B2 P37059 4/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ HSD17B1 P14061 2/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8964314 0.87 HDAC3 (0.54) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL8963960 0.85 HDAC4 (0.57) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL2202980 0.75 HDAC6 (1.00) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL15490564 0.74 HDAC6 (0.65) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL8963632 0.73 TP53 (0.45) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL8963357 0.69 HSD17B10 (0.50) HPGDALDH1A1MAPTNAPRT
SCHEMBL12495959 0.67 HDAC4 (0.64) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL14534497 0.67 ALDH1A1 (0.43) KMT2AHPGDMEN1ALDH1A1MAPT
SCHEMBL15490566 0.66 KMT2A (0.56) HDAC4HDAC6HDAC3KMT2AHDAC1
SCHEMBL31098597 0.66 CNR1 (0.56) KMT2AHPGDMEN1ALDH1A1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC4 1811/4885HDAC6 870/4885HDAC3 1492/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC4 1811/4885HDAC6 870/4885HDAC3 1492/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HDAC4 1811/4885HDAC6 870/4885HDAC3 1492/4885

“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.