SCHEMBL27137802

SCHEMBL27137802

c1cc2cnc3nnnc4nnc(c2c1)c34

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ GPR3 P46089 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL29211322 0.74 KDM4E (0.45) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL1068328 0.68 ALDH1A1 (0.35) KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL19748969 0.66 KDM4E (0.54) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL2488607 0.66 KDM4E (0.58) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL3194830 0.66 MAPK1 (0.37) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL16740689 0.64 KDM4E (0.47) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL3192821 0.61 ALDH1A1 (0.40) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL19820713 0.59 KDM4E (0.56) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL10742095 0.59 KDM4E (0.48) KDM4EGPR3ALDH1A1HSD17B10
SCHEMBL18099793 0.58 KDM4E (0.53) KDM4EGPR3ALDH1A1PARP1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-02-29 — — US disclosed
EP-4243816-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2023-09-20 — — EP disclosed
WO-2022104206-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2022-05-19 — — WO 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-20240067655-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, NUAK1, NUAK2 KDM4E 2161/4885GPR3 1139/4885ALDH1A1 4504/4885

“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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