SCHEMBL21229397

SCHEMBL21229397

Cc1c(NC(=O)c2cc(C3CC3)c(CNCCO)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CNCCO)cn2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 20/20 1.00
CD274 Q9NZQ7 20/20 1.00

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
SCHEMBL30112663 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL24660129 0.96 PDCD1 (0.93) PDCD1CD274
SCHEMBL24446423 0.96 PDCD1 (0.93) PDCD1CD274
SCHEMBL22769796 0.91 PDCD1 (1.00) PDCD1CD274
SCHEMBL30112714 0.91 PDCD1 (1.00) PDCD1CD274
SCHEMBL24446517 0.91 PDCD1 (0.82) PDCD1CD274
SCHEMBL24446446 0.91 PDCD1 (0.89) PDCD1CD274
SCHEMBL24446448 0.91 PDCD1 (0.89) PDCD1CD274
SCHEMBL24446450 0.91 PDCD1 (0.89) PDCD1CD274
SCHEMBL24446527 0.91 PDCD1 (0.82) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032270-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2021-02-04 US disclosed
EP-3750887-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-12-16 EP disclosed
EP-3750887-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-12-16 EP disclosed
WO-2019149183-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2019-08-08 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-20210032270-A1 BIARYL DERIVATIVE, PREPARATION METHOD THEREOF AND PHARMACEUTICAL APPLICATION THEREOF PDCD1, PDCD1LG2, CD274 PDCD1 1/4885CD274 3/4885

“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.