SCHEMBL27440765

SCHEMBL27440765

CCC(=O)N[C@H](C#N)CC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MCL1 Q07820 3/20 0.39
CTSC P53634 8/20 0.38
CTSK P43235 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CTSH P09668 1/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL7994665 0.80
SCHEMBL4555963 0.78 TGFBR1 (0.43) MCL1CTSCCTSKCYP1A2CYP3A4
SCHEMBL28554597 0.77 CYP2C9 (0.36) CYP2C9CTSCCTSKALDH1A1CTSS
SCHEMBL28220085 0.77 CYP2C9 (0.46) CYP2C9MCL1MEN1KMT2AALDH1A1
SCHEMBL27440724 0.76
SCHEMBL25967083 0.76
SCHEMBL27440714 0.76
SCHEMBL5958657 0.71 CTSK (0.56) CTSKCTSS
SCHEMBL15259348 0.71 CTSK (0.56) CTSKCTSS
SCHEMBL16111676 0.70

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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 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-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 CYP2C9 499/4885MCL1 915/4885CTSC 1540/4885

“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.