SCHEMBL14066604

SCHEMBL14066604

S=c1[nH]cc(Cn2ccc3ccccc32)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.47
CCND1 P24385 5/20 0.47
HTR6 P50406 1/20 0.45
PLAU P00749 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
KMT2A Q03164 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
DAO P14920 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.35

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
SCHEMBL9101689 0.80 DAO (0.44) CDK4CCND1HTR6PLAUHDAC1
SCHEMBL4828732 0.77 ADRA2A (0.32) DAO
SCHEMBL4828688 0.77 ADRA2A (0.47) DAO
SCHEMBL4828722 0.77 DBH (0.38) HTR6DAO
SCHEMBL30794349 0.72 IDO1 (0.51) CDK4CCND1HTR6PLAUHDAC1
SCHEMBL15080206 0.71 CDK4 (0.49) CDK4CCND1HTR6PLAUHDAC1
SCHEMBL31021 0.68 HTR6 (0.73) CDK4CCND1HTR6PLAUHDAC1
SCHEMBL29509279 0.68 HTR6 (0.73) CDK4CCND1HTR6PLAUHDAC1
SCHEMBL5429887 0.67 CDK4 (0.54) CDK4CCND1HTR6KMT2ALMNA
SCHEMBL11366447 0.66 CDK4 (1.00) CDK4CCND1HTR6KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ALLERGAN, INC. (US) 2008-09-11 US disclosed
US-7399868-B2 4-(Heteroaryl-methyl and substituted heteroaryl-methyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists ALLERGAN, INC. (US) 2008-07-15 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-20080221152-A1 4-(HETEROARYL-METHYL AND SUBSTITUTED HETEROARYL-METHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS ADRB2, ADRA2C, ADRA2A CDK4 2875/4885CCND1 2416/4885HTR6 439/4885

“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.