SCHEMBL17377409

SCHEMBL17377409

CCCCC(CNC(=O)OCc1ccccc1)n1nc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.43
▸ CTSL P07711 4/20 0.43
▸ TNK2 Q07912 2/20 0.40
▸ BTK Q06187 9/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ CTSK P43235 3/20 0.36
▸ CTSB P07858 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ SRC P12931 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16078924 0.89 DPP8 (0.41) CTSSCTSLTNK2BTKEGLN2
SCHEMBL17375372 0.83 BTK (0.53) TNK2BTKEGFRSRC
SCHEMBL25435246 0.74 BTK (0.46) CTSSCTSLBTKCTSKCTSB
SCHEMBL26534323 0.74 BTK (0.46) CTSSCTSLBTKCTSKCTSB
SCHEMBL16078942 0.73 BTK (0.53) TNK2BTKEGFRSRC
SCHEMBL15669624 0.70 BTK (0.56) BTKEGFRSRC
SCHEMBL724431 0.70 CTSS (0.45) CTSSCTSLCTSKCTSBHPGD
SCHEMBL727044 0.69 CTSS (0.40) CTSSCTSLCTSKCTSBHPGD
SCHEMBL728077 0.68 CTSS (0.39) CTSSCTSLCTSKCTSBHPGD
SCHEMBL5078551 0.67 CTSL (0.59) CTSSCTSLCTSKDPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 — — 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-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 CTSS 1892/4885CTSL 956/4885TNK2 340/4885

“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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