SCHEMBL5470901

SCHEMBL5470901

CC(C)Oc1ccc(OC(C)C)c(-c2ccnc(N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.55
CCNA2 P20248 4/20 0.55
CDK2 P24941 4/20 0.55
CDK9 P50750 4/20 0.55
CDK5 Q00535 4/20 0.55
CDK5R1 Q15078 4/20 0.55
CCNA1 P78396 3/20 0.55
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
MAP3K14 Q99558 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
ROCK2 O75116 2/20 0.41
CHRNA7 P36544 1/20 0.41
POLB P06746 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KMO O15229 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL5465203 0.83 ROCK1 (0.49) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL30507533 0.81 CDK5 (0.59) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL28501601 0.81 CDK5 (0.59) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL5471286 0.78 GSK3B (0.60) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL5469279 0.72 RAB9A (0.60) POLB
SCHEMBL5465912 0.72 NPSR1 (0.49) CCNT1CDK9CDK5GSK3B
SCHEMBL6640492 0.71 CCNT1 (0.58) CCNT1CCNA2CDK2CDK9CDK5
SCHEMBL5467291 0.71 CCNT1 (0.44) CCNT1CCNA2CDK2CDK9GSK3B
SCHEMBL5476961 0.71 CDK1 (0.49) CCNT1CCNA2CDK2CDK9CDK5
Meriolin 6 SCHEMBL2999009 0.71 CDK5 (1.00) CCNT1CCNA2CDK2CDK9CDK5

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR CCNT1 1660/4885CCNA2 1893/4885CDK2 3499/4885

“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.