SCHEMBL18033547

SCHEMBL18033547

CCn1cnc(C)nc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ BRD2 P25440 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
SCHEMBL18033549 0.82 HSD17B10 (0.36) ALDH1A1ADORA2BUSP2LMNAMAPK1
SCHEMBL12724275 0.82 CDK1 (0.47) ALDH1A1CDK1CCNB1CCNE1CDK2
SCHEMBL14580329 0.76 — —
SCHEMBL16544559 0.75 CDK1 (0.34) ALDH1A1CDK1CCNB1CCNE1CDK2
SCHEMBL16434936 0.73 GRIN1 (0.37) ALDH1A1CDK1CCNB1SMN1; SMN2RAB9A
SCHEMBL27909114 0.68 — —
SCHEMBL24754374 0.67 SMN1; SMN2 (0.41) ALDH1A1CDK1CCNB1ADORA2APDE4A
SCHEMBL14084793 0.67 ADORA2B (0.46) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL25153747 0.67 ADORA2A (0.38) ALDH1A1ADORA2APDE4APDE4BPDE4C
SCHEMBL2865257 0.67 KMT2A (0.40) ALDH1A1ADORA1PI4KAPI4KBSMN1; SMN2

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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 — — 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H ALDH1A1 2383/4885CDK1 541/4885CCNB1 1619/4885

“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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