SCHEMBL23773568

SCHEMBL23773568

CCC(C)N(C)c1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ TLR8 Q9NR97 2/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ NCF1 P14598 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL23978561 0.85 CYP1A2 (0.46) CYP1A2PCSK9TLR8RPS6KB1NCF1
SCHEMBL26488447 0.81 CYP1A2 (0.43) CYP1A2PCSK9TLR8RPS6KB1NCF1
SCHEMBL12003727 0.77 CYP1A2 (0.56) CYP1A2NCF1HTR3AHRH4KDM4E
SCHEMBL31391395 0.77 CYP1A2 (0.56) CYP1A2NCF1HTR3AHRH4KDM4E
SCHEMBL23978672 0.77 CYP1A2 (0.45) CYP1A2PCSK9TLR8RPS6KB1NCF1
SCHEMBL27947605 0.74 CYP1A2 (0.51) CYP1A2TLR8
SCHEMBL3337226 0.73 CYP1A2 (0.47) CYP1A2NCF1HTR3AHRH4KDM4E
SCHEMBL17061539 0.73 CYP1A2 (0.47) CYP1A2NCF1HTR3AHRH4KDM4E
SCHEMBL14505627 0.70 CYP1A2 (0.42) CYP1A2PCSK9TLR8NCF1HTR3A
Hydrochloric Acid SCHEMBL10583130 0.69 CYP1A2 (0.47) CYP1A2NCF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 — — US disclosed
WO-2021163727-A1 PIKFYVE KINASE INHIBITORS AcuraStem Incorporated (US) 2021-08-19 — — 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-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C CYP1A2 4578/4885PCSK9 2241/4885ACACB 1493/4885

“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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