SCHEMBL23736440

SCHEMBL23736440

CN1CCC(Oc2cccnc2N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ HRH1 P35367 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL30541545 0.93 NOS3 (0.48) NOS3NOS1NOS2CHRM3CHRM2
SCHEMBL31309223 0.85 LTA4H (0.47) SMN1; SMN2NOS3NOS1NOS2LTA4H
SCHEMBL9117247 0.82 PDE4A (0.49) SMN1; SMN2NOS3NOS1NOS2LTA4H
SCHEMBL14634346 0.78 CHRNB2 (0.47) SMN1; SMN2KDM4ENPY1RNPY2RLRRK2
SCHEMBL2557423 0.78 CHRNB2 (0.47) SMN1; SMN2KDM4ENPY1RNPY2RLRRK2
SCHEMBL4515007 0.78 HRH1 (0.51) HRH1LTA4HMAPK14
SCHEMBL30292528 0.77 KDM4E (0.55) SMN1; SMN2KDM4ENPY1RNPY2RHRH1
SCHEMBL30978673 0.76 SCD (0.46) SMN1; SMN2KDM4ENPY1RNPY2RHRH1
SCHEMBL31234741 0.76 NAMPT (0.44) RBP4KMT2A
SCHEMBL12929421 0.75 LRRK2 (0.48) SMN1; SMN2LRRK2HRH3CHRM3CHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727756-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2024-07-02 — — CN disclosed
CN-113956238-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2023-07-14 — — CN disclosed
CN-108290864-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2022-05-10 — — CN disclosed
CN-113956238-A Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2022-01-21 — — CN disclosed
US-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof GAN & LEE PHARMACEUTICALS 2021-08-17 — — 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 (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-11091476-B2 Protein kinase inhibitors, preparation method and medical use thereof ROR1, DMPK, CDK9 SMN1; SMN2 811/4885KDM4E 1343/4885NPY1R 711/4885

“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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