SCHEMBL5067490

SCHEMBL5067490

COc1ccccc1-c1nc2cc(C(F)(F)F)cc(C3=CCNCC3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 12/20 0.46
CDK9 P50750 12/20 0.46
SCN9A Q15858 1/20 0.42
HTR2C P28335 2/20 0.42
PDE5A O76074 2/20 0.40
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
QDPR P09417 1/20 0.36

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
SCHEMBL4564150 0.77 AMY1A (0.45) PDE5A
SCHEMBL5066917 0.77 GRM5 (0.47) CCNT1CDK9SCN9A
SCHEMBL31348179 0.73 CCNT1 (0.57) CCNT1CDK9HTR2CEHMT2EHMT1
SCHEMBL614978 0.73 CCNT1 (0.57) CCNT1CDK9HTR2CEHMT2EHMT1
SCHEMBL5067573 0.72 PARP1 (0.41) CCNT1CDK9
SCHEMBL4563904 0.69 HTR7 (0.47) HTR2C
SCHEMBL14012673 0.68 DRD4 (0.36) PDE5A
SCHEMBL938466 0.68 GUSB (0.55) PDE5A
SCHEMBL22323763 0.68 PDE5A (0.52) PDE5A
SCHEMBL6248434 0.67

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-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CCNT1 940/4885CDK9 218/4885SCN9A 2629/4885

“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.