SCHEMBL27088012

SCHEMBL27088012

C#CCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ CSNK1A1 P48729 3/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ DYRK1A Q13627 3/20 0.47
▸ NTRK3 Q16288 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ DYRK3 O43781 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ IRAK1 P51617 2/20 0.47
▸ SLK Q9H2G2 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ LCK P06239 2/20 0.47

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
SCHEMBL27087999 0.85 SRC (0.45) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL22215343 0.83 PIK3CD (0.55) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL868744 0.80 PIK3CD (0.51) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL16701523 0.78 ADK (0.49) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL4572201 0.77 RET (0.48) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL868521 0.77 DYRK3 (0.51) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL24096485 0.76 PIK3CG (0.54) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL19283009 0.76 ADK (0.49) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL17936088 0.76 MAPK1 (0.47) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL21950482 0.76 MAPK1 (0.60) PIK3CDCSNK1A1CLK2CDK5DYRK1A

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
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 — — US disclosed
CN-117597346-A NEK7 inhibitors 哈利亚治疗公司 2024-02-23 — — CN disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
CN-111848629-B mTOR/HDAC dual inhibitor and application thereof 安徽中医药大学 2021-06-11 — — CN disclosed
CN-111848629-A mTOR/HDAC dual inhibitor and application thereof 安徽中医药大学 2020-10-30 — — CN 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-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 PIK3CD 3293/4885PRKDC 1169/4885CSNK1A1 114/4885

“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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