SCHEMBL17831361

SCHEMBL17831361

CCc1cncc(NC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ AOC1 P19801 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ GPR55 Q9Y2T6 2/20 0.32
▸ XDH P47989 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGFR P00533 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
SCHEMBL17993887 0.81 KDM4E (0.44) ALDH1A1KDM4EFDPSAOC1AOC3
SCHEMBL6258954 0.81 KDM4E (0.44) ALDH1A1KDM4EFDPSAOC1AOC3
SCHEMBL21621710 0.81 KDM4E (0.44) ALDH1A1KDM4EFDPSAOC1AOC3
SCHEMBL24139831 0.81 KDM4E (0.44) ALDH1A1KDM4EFDPSCHRNB2CHRNA4
SCHEMBL240843 0.78 SMYD3 (0.39) ALDH1A1SMYD3NPSR1PRMT5WDR77
SCHEMBL8049000 0.78 KDM4E (0.58) ALDH1A1KDM4EAOC1AOC3EGFR
SCHEMBL21646424 0.78 CHRNB2 (0.44) ALDH1A1KDM4EFDPSCHRNB2CHRNA4
SCHEMBL17828144 0.78 GPR55 (0.38) ALDH1A1SMYD3NPSR1FDPSCHRNB2
SCHEMBL19984476 0.76 SMYD3 (0.33) ALDH1A1SMYD3NPSR1CHRNB2CHRNA4
SCHEMBL14030132 0.75 RAB9A (0.44) ALDH1A1KDM4ENPSR1XDHSLC22A12

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
CN-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 — — CN disclosed
EP-2710018-B1 MACROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2021-12-29 — — EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 — — 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ALDH1A1 2519/4885KDM4E 2666/4885SMYD3 580/4885

“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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