SCHEMBL10101654

SCHEMBL10101654

[C-]#[N+]c1ccc(Cn2cncc2Cn2ccc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
HTR6 P50406 2/20 0.49
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
PLAU P00749 1/20 0.44
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7738190 0.81 CYP11B1 (0.60) KMT2ACYP11B1CYP11B2
SCHEMBL3193130 0.72 CDK4 (0.51) KMT2AHTR6PLAUCDK4CCND1
SCHEMBL10101653 0.71 FNTA (0.46) KMT2AHDAC1HDAC2HDAC8HDAC6
SCHEMBL12544753 0.70 CYP11B1 (0.72) CYP11B1CYP11B2
SCHEMBL3177815 0.70 HTR6 (0.65) KMT2AHTR6HDAC1HDAC2HDAC10
SCHEMBL29509279 0.69 HTR6 (0.73) KMT2AHTR6HDAC1HDAC2HDAC10
SCHEMBL31021 0.69 HTR6 (0.73) KMT2AHTR6HDAC1HDAC2HDAC10
SCHEMBL29459650 0.68 HTR6 (0.72) KMT2AHTR6HDAC1HDAC2HDAC10
SCHEMBL2247137 0.68 HTR6 (0.72) KMT2AHTR6HDAC1HDAC2HDAC10
SCHEMBL28616092 0.67 KMT2A (1.00) KMT2AHTR6HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-02-02 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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A KMT2A 899/4885HTR6 350/4885HDAC1 1412/4885

“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.