SCHEMBL2772979

SCHEMBL2772979

O=C(Cl)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.67
HDAC1 Q13547 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HRH4 Q9H3N8 1/20 0.60
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
Hydrochloric Acid SCHEMBL10374835 0.98 HRH3 (0.64) HRH3HDAC1HDAC8HDAC6HRH4
Hydrochloric Acid SCHEMBL10372662 0.98 HRH3 (0.64) HRH3HDAC1HDAC8HDAC6HRH4
Hydrochloric Acid SCHEMBL2771525 0.96 HDAC1 (0.65) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL3275253 0.87 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL28784579 0.87 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL27854081 0.85 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL2986364 0.85 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6HRH4
Hydrochloric Acid SCHEMBL27789104 0.85 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL2741682 0.85 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6HRH4
SCHEMBL3275430 0.85 HDAC1 (0.69) HRH3HDAC1HDAC8HDAC6HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
CN-101878212-A Triazolopyridine compounds and their use as ask inhibitors SERONO LAB 2010-11-03 CN disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 HRH3 2386/4885HDAC1 1757/4885HDAC8 1273/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 HRH3 2386/4885HDAC1 1757/4885HDAC8 1273/4885

“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.