SCHEMBL19249275

SCHEMBL19249275

CC(C)NC(=O)N1CC(C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PREP P48147 1/20 0.33

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
SCHEMBL20647896 0.86 DPP4 (0.45) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL19249276 0.86 DPP4 (0.45) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL24568323 0.86 DPP4 (0.36) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL19249271 0.85 DPP4 (0.47) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL17546303 0.79 POLB (0.48) JAK2JAK1JAK3
SCHEMBL19249273 0.77 DPP4 (0.43) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL12448072 0.76 SMN1; SMN2 (0.50) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL15298999 0.76 SMN1; SMN2 (0.50) DPP4SMN1; SMN2PKMCYP1A2CYP2C9
SCHEMBL24158934 0.75 HSD11B1 (0.31) —
SCHEMBL24567517 0.75 DPP4 (0.49) DPP4SMN1; SMN2PKMCYP1A2CYP2C9

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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 — — US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 — — EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — 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 (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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885SMN1; SMN2 3833/4885PKM 3353/4885

“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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