SCHEMBL12255698

SCHEMBL12255698

CCc1ncn2c1CNCC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
SOD3 P08294 2/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 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
SCHEMBL24732111 0.84 SOD3 (0.36) GABRG2GABRB3GABRA5SOD3HTR2C
SCHEMBL1995632 0.83 PDCD1 (0.30)
SCHEMBL19705387 0.77 CHRNB2 (0.33) HTR2C
SCHEMBL14048101 0.74 PIK3CA (0.33) GABRG2GABRB3GABRA5
SCHEMBL25951274 0.74
SCHEMBL21419070 0.73 CHRNB2 (0.30)
SCHEMBL22054322 0.73 HTR2C (0.33) HTR2C
SCHEMBL24656039 0.73 HRH3 (0.32)
SCHEMBL23475070 0.72
SCHEMBL19705385 0.72 HTR6 (0.30)

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-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 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 (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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 GABRG2 2731/4885GABRB3 1763/4885GABRA5 1685/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 GABRG2 3807/4885GABRB3 2856/4885GABRA5 3698/4885

“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.