SCHEMBL22895560

SCHEMBL22895560

CC#Cc1cnc(N[C@@H]2CCNC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ ACACB O00763 8/20 0.39
▸ BPTF Q12830 2/20 0.39
▸ RPS6KB1 P23443 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL22895799 0.86 HRH4 (0.39) HRH4HRH3HRH2SYKKCNH2
SCHEMBL28544474 0.86 HRH4 (0.39) HRH4HRH3HRH2SYKKCNH2
SCHEMBL17961772 0.83 KDM4E (0.46) HRH4HRH3HRH2RPS6KB1CHEK1
SCHEMBL17961774 0.83 KDM4E (0.46) HRH4HRH3HRH2RPS6KB1CHEK1
Hydrochloric Acid SCHEMBL23295751 0.82 CHEK1 (0.45) HRH4HRH3HRH2RPS6KB1CHEK1
SCHEMBL17961789 0.82 CCNT1 (0.42) HRH4HRH3HRH2SYKKCNH2
SCHEMBL17961786 0.82 CCNT1 (0.42) HRH4HRH3HRH2SYKKCNH2
Hydrochloric Acid SCHEMBL28546461 0.82 CHEK1 (0.45) HRH4HRH3HRH2RPS6KB1CHEK1
SCHEMBL23325977 0.82 MKNK1 (0.37) HRH4HRH3HRH2SYKKCNH2
Hydrochloric Acid SCHEMBL29777716 0.81 CCNT1 (0.41) HRH4HRH3HRH2SYKKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 — — 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-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 HRH4 4367/4885HRH3 3293/4885HRH2 4207/4885

“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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