SCHEMBL10169423

SCHEMBL10169423

CC(C)N1CCCC(c2c[nH]c3ccccc23)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ATM Q13315 1/20 0.61
BRD4 O60885 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
CREBBP Q92793 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR2C P28335 2/20 0.50
ADRB2 P07550 1/20 0.50
HSD11B1 P28845 1/20 0.49
ADRA1D P25100 4/20 0.49
HTR1A P08908 2/20 0.48
CCNT1 O60563 1/20 0.47
CCNK O75909 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL25758177 0.83 KDM4E (0.63) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL10212688 0.82 KDM4E (0.84) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL31530811 0.80 KDM4E (0.60) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL6096741 0.79 KDM4E (0.47) KDM4EATMBRD4ALDH1A1POLB
Hydrochloric Acid SCHEMBL11230694 0.78 KDM4E (0.60) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL12000672 0.77 DRD2 (0.49) KCNH2
SCHEMBL28594057 0.76 HTR2C (0.74) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL807343 0.76 HTR2C (0.74) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL27201572 0.76 HSD11B1 (0.64) KDM4EATMBRD4ALDH1A1POLB
SCHEMBL6529902 0.76 KDM4E (1.00) KDM4EATMBRD4ALDH1A1POLB

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-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT KDM4E 2606/4885ATM 1063/4885BRD4 271/4885

“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.