SCHEMBL699195

SCHEMBL699195

Nc1ccccc1NC(=O)c1ccc(N(CC(F)(F)F)c2nccc(-c3cnc4ccccn34)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.64
DYRK1A Q13627 1/20 0.44
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.41
NCOR1 O75376 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
NCOR2 Q9Y618 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
SCHEMBL700029 0.90 HDAC1 (0.67) HDAC1DYRK1AHDAC2HDAC3NCOR1
SCHEMBL700697 0.88 DYRK1A (0.49) HDAC1DYRK1ANPC1ALDH1A1POLB
SCHEMBL701954 0.85 HDAC1 (0.68) HDAC1DYRK1AHDAC2HDAC3HDAC11
SCHEMBL7991714 0.85 DYRK1A (0.52) HDAC1DYRK1A
SCHEMBL273215 0.83 CDK2 (0.45) HDAC1HDAC2HDAC3NCOR1HDAC11
SCHEMBL7988056 0.80 DYRK1A (0.49) HDAC1DYRK1AALDH1A1SMN1; SMN2
SCHEMBL10252141 0.80 IRAK4 (0.44) HDAC1DYRK1A
SCHEMBL699310 0.78 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR1HDAC11
SCHEMBL700179 0.76 DYRK1A (0.54) HDAC1DYRK1A
SCHEMBL3356670 0.76 HDAC1 (0.66) HDAC1DYRK1AHDAC2HDAC3NCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC1 1/4885DYRK1A 3146/4885HDAC2 12/4885

“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.