SCHEMBL23325977

SCHEMBL23325977

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ ACACB O00763 4/20 0.34
▸ SYK P43405 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ BPTF Q12830 2/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ ATAD2 Q6PL18 2/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ CCNK O75909 3/20 0.34
▸ CDK12 Q9NYV4 3/20 0.34
▸ CCNT1 O60563 2/20 0.34
▸ CDK7 P50613 2/20 0.34

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
SCHEMBL22895560 0.82 HRH4 (0.40) MKNK1MKNK2HRH4HRH3HRH2
SCHEMBL17961772 0.80 KDM4E (0.46) HRH4HRH3HRH2CHEK1CCNK
SCHEMBL17961774 0.80 KDM4E (0.46) HRH4HRH3HRH2CHEK1CCNK
SCHEMBL22895799 0.80 HRH4 (0.39) HRH4HRH3HRH2CHEK1ACACB
SCHEMBL28544474 0.80 HRH4 (0.39) HRH4HRH3HRH2CHEK1ACACB
Hydrochloric Acid SCHEMBL28546461 0.79 CHEK1 (0.45) HRH4HRH3HRH2CHEK1CCNK
SCHEMBL17961789 0.79 CCNT1 (0.42) MKNK1MKNK2HRH4HRH3HRH2
SCHEMBL17961786 0.79 CCNT1 (0.42) MKNK1MKNK2HRH4HRH3HRH2
Hydrochloric Acid SCHEMBL23295751 0.79 CHEK1 (0.45) HRH4HRH3HRH2CHEK1CCNK
Hydrochloric Acid SCHEMBL29777716 0.77 CCNT1 (0.41) MKNK1MKNK2HRH4HRH3HRH2

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-11358958-B2 — — 2022-06-14 — — US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 — — 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 (2 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-11358958-B2 — CDK2, CDK1, CDK6 MKNK1 130/4885MKNK2 142/4885HRH4 4083/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 MKNK1 86/4885MKNK2 90/4885HRH4 4367/4885

“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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