SCHEMBL16972801

SCHEMBL16972801

Cc1cc(Cl)nc2c1ncn2CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 2/20 0.50
GABRG2 P18507 8/20 0.48
GABRB3 P28472 8/20 0.48
GABRA5 P31644 8/20 0.48
CNR2 P34972 2/20 0.38
ABL1 P00519 4/20 0.37
BTK Q06187 4/20 0.37
BCR P11274 2/20 0.36
BRD4 O60885 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 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
SCHEMBL16972818 0.80 GABRG2 (0.47) YTHDC1GABRG2GABRB3GABRA5CNR2
SCHEMBL18226621 0.77 YTHDC1 (0.50) YTHDC1GABRG2GABRB3GABRA5CNR2
SCHEMBL16972821 0.77 GABRG2 (0.45) YTHDC1GABRG2GABRB3GABRA5BRD4
SCHEMBL31309753 0.76 MTOR (0.44) YTHDC1GABRG2GABRB3GABRA5CNR2
SCHEMBL30332108 0.75 YTHDC1 (0.60) YTHDC1CNR2
SCHEMBL18226598 0.75 GABRG2 (0.48) YTHDC1GABRG2GABRB3GABRA5
SCHEMBL26105431 0.72 ADORA2A (0.46) YTHDC1GABRG2GABRB3GABRA5
SCHEMBL2911823 0.72 HSP90AA1 (0.51) YTHDC1HSP90AA1HSP90AB1
SCHEMBL30612240 0.72 ADORA2A (0.46) YTHDC1GABRG2GABRB3GABRA5
SCHEMBL18226830 0.72 GABRG2 (0.41) YTHDC1GABRG2GABRB3GABRA5

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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP YTHDC1 4478/4885GABRG2 14/4885GABRB3 10/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP YTHDC1 4478/4885GABRG2 14/4885GABRB3 10/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP YTHDC1 4478/4885GABRG2 14/4885GABRB3 10/4885

“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.