SCHEMBL15428265

SCHEMBL15428265

C#Cc1ccncc1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
ERN1 O75460 5/20 0.33
CYP2A6 P11509 3/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2B6 P20813 1/20 0.31

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
SCHEMBL29956769 1.00 HDAC8 (0.37) HDAC8CCNT1CDK9HASPINERN1
SCHEMBL29951381 0.86 HDAC8 (0.38) HDAC8CCNT1CDK9HASPINERN1
SCHEMBL24212085 0.80 HTT (0.46) CCNT1CDK9HASPINCYP2A6KMT2A
SCHEMBL29950969 0.80 HTT (0.46) CCNT1CDK9HASPINCYP2A6KMT2A
SCHEMBL20327726 0.77 HDAC8 (0.34) HDAC8CYP2A6MAPTKMT2ACYP2E1
SCHEMBL5800613 0.74 ERN1 (0.33) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL29955436 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL2600757 0.73 KMT2A (0.46) CCNT1CDK9HASPINERN1CYP2A6
SCHEMBL792943 0.72
SCHEMBL29953048 0.72 HTT (0.46) CCNT1CDK9HASPINCYP2A6CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 HDAC8 3750/4885CCNT1 3451/4885CDK9 1520/4885

“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.