SCHEMBL17259255

SCHEMBL17259255

CC(C)(C)n1nc(CBr)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
CHRNA7 P36544 1/20 0.36
DYRK1A Q13627 3/20 0.36
DYRK2 Q92630 3/20 0.36
DYRK3 O43781 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CYP2C9 P11712 2/20 0.35
KIF11 P52732 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PTGS2 P35354 2/20 0.34
PDPK1 O15530 1/20 0.34
CHRNB2 P17787 1/20 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
SCHEMBL17259281 0.82 P2RY6 (0.47) PTGS2
SCHEMBL13757481 0.79 PTGS2 (0.46) DYRK1ADYRK2DYRK3CCNA2CDK2
SCHEMBL17259301 0.74 KCNH2 (0.39) KCNH2CHRNA7ALDH1A1LMNACYP2C9
SCHEMBL17259268 0.71 MAPT (0.47) CHRNA7PTGS2TP53MAPT
SCHEMBL17259225 0.71 KDM4E (0.40) KCNH2CHRNA7ALDH1A1LMNAPTGS2
SCHEMBL27775799 0.69 HDAC6 (0.38) KCNH2ALDH1A1LMNANR1H4ALOX5
SCHEMBL17259254 0.67 P2RY6 (0.47) PTGS2
SCHEMBL3231170 0.66 HDAC6 (0.38) KCNH2CHRNA7ALDH1A1LMNANR1H4
SCHEMBL4474644 0.66 NPY5R (0.44) ALDH1A1LMNACYP2C9KIF11PTGS2
SCHEMBL27775463 0.66 CNR2 (0.41) NR1H4CYP2C9CDK5PTGS2ALOX5

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-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G KCNH2 33/4885CHRNA7 208/4885DYRK1A 3785/4885

“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.