SCHEMBL2866213

SCHEMBL2866213

O=C1Nc2cccc(F)c2CN1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.52
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ HTR5A P47898 1/20 0.39
▸ CALCRL Q16602 5/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ CTSS P25774 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OGFRL1 Q5TC84 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ GRM4 Q14833 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
SCHEMBL2878324 0.81 HTR2C (0.41) MAPK1CTSS
SCHEMBL31184551 0.74 TP53 (0.41) MAPK1
SCHEMBL3963853 0.74 ACE (0.46) MAPK1CDK5CDK5R1HTR5ACALCRL
SCHEMBL2872824 0.73 BRD4 (0.56) CALCRLCTSS
SCHEMBL31184907 0.73 JAK2 (0.40) CDK5CDK5R1CALCRL
SCHEMBL15025465 0.72 ACE (0.44) CDK5CDK5R1HTR5ACALCRLCTSS
SCHEMBL17525017 0.71 CHRM3 (0.37) MAPK1CDK5CDK5R1CALCRL
SCHEMBL31184698 0.70 CHRM4 (0.36) CDK5CDK5R1CALCRL
SCHEMBL13801327 0.70 ACE (0.43) CDK5CDK5R1CALCRLCTSSOPRM1
SCHEMBL21257762 0.70 HTT (0.46) MAPK1CDK5CDK5R1HTR5AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 MAPK1 2919/4885CDK5 668/4885CDK5R1 495/4885

“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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