SCHEMBL17848050

SCHEMBL17848050

CCCCCn1ncc2cc(N)ncc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 1/20 0.44
▸ TLR8 Q9NR97 4/20 0.37
▸ PKM P14618 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
SCHEMBL8804551 0.82 PKM (0.36) PKM
SCHEMBL8806349 0.78 PKM (0.34) PKM
SCHEMBL31358222 0.73 PIK3CB (0.55) PIK3CB
SCHEMBL21780866 0.73 KMO (0.46) TLR8PKM
SCHEMBL8803921 0.72 SLC9A1 (0.40) TLR8PKM
SCHEMBL13641433 0.72 PKM (0.38) TLR8PKM
SCHEMBL861732 0.71 CYP1A2 (0.57) TLR8
SCHEMBL25427541 0.71 HDAC1 (0.43) PIK3CBPKM
SCHEMBL22502397 0.71 HTR2A (0.48) TLR8
SCHEMBL13641471 0.71 HTR2A (0.43) PKM

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
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 — — EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 — — 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 (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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 PIK3CB 95/4885TLR8 2988/4885PKM 1114/4885

“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.

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