SCHEMBL21874386

SCHEMBL21874386

N#Cc1ccccc1NC(=O)[C@H]1C[C@@H](F)CN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 6/20 0.52
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PDK2 Q15119 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL30945059 0.76 DPP4 (0.54) CTSCKMT2AGAAL3MBTL1TSHR
SCHEMBL21964290 0.76 KMT2A (0.53) CTSCKMT2AGAAKDM4EL3MBTL1
SCHEMBL29545651 0.76 CTSC (0.42) CTSCGAA
SCHEMBL18554831 0.76 CTSC (0.42) CTSCGAA
SCHEMBL18554486 0.75 CTSC (0.42) CTSCKMT2ASMN1; SMN2MEN1
SCHEMBL18555104 0.74 CTSC (0.41) CTSCKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4768530 0.72 L3MBTL1 (0.52) KMT2AGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL17023724 0.72 CFD (0.42) CTSCKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL17053073 0.72 CFD (0.42) CTSCKMT2ATSHRSMN1; SMN2MEN1
SCHEMBL18576565 0.72 CFD (0.42) CTSCKMT2ATSHRSMN1; SMN2MEN1

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-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 — — US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 — — US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 — — US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 — — EP 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 CTSC 3724/4885KMT2A 124/4885GAA 4575/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CTSC 3724/4885KMT2A 124/4885GAA 4575/4885

“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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