SCHEMBL17546302

SCHEMBL17546302

CNC(=O)N1CCC(C#N)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ PDE4B Q07343 1/20 0.35
▸ JAK1 P23458 6/20 0.35
▸ JAK2 O60674 4/20 0.35
▸ JAK3 P52333 3/20 0.35
▸ LRRK2 Q5S007 3/20 0.35
▸ TYK2 P29597 2/20 0.33
▸ USP30 Q70CQ3 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ VNN1 O95497 3/20 0.32
▸ BTD P43251 2/20 0.32

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
SCHEMBL17546299 0.90 POLB (0.44) POLBPDE4BDPP4VNN1BTD
SCHEMBL19014557 0.89 POLB (0.56) POLBPDE4BLRRK2DPP4
SCHEMBL17546303 0.85 POLB (0.48) POLBJAK1JAK2JAK3
SCHEMBL6826789 0.84 POLB (0.48) POLBPDE4B
SCHEMBL20647896 0.81 DPP4 (0.45) PDE4BJAK1JAK2JAK3TYK2
SCHEMBL19249276 0.81 DPP4 (0.45) PDE4BJAK1JAK2JAK3TYK2
SCHEMBL16887553 0.79 DPP4 (0.38) JAK1JAK2JAK3DPP4
SCHEMBL27510701 0.79 F2R (0.36) JAK1JAK2JAK3LRRK2TYK2
SCHEMBL28244560 0.79 CHRNB2 (0.41) PDE4BLRRK2DPP4
SCHEMBL18389813 0.78 KDM4E (0.46) POLBUSP30

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-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 — — 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA POLB 4110/4885PDE4B 368/4885JAK1 364/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA POLB 4110/4885PDE4B 368/4885JAK1 364/4885

“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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