SCHEMBL12880864

SCHEMBL12880864

CC(C)c1ccc(CN2CCCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ATM Q13315 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12880866 0.98 HRH3 (0.51) HRH3TMEM97SIGMAR1KMT2AMEN1
SCHEMBL13466409 0.95 HRH3 (0.48) HRH3TMEM97SIGMAR1KMT2AMEN1
SCHEMBL14924103 0.86 PRMT5 (0.44) HRH3TMEM97SIGMAR1PRMT5WDR77
SCHEMBL12028960 0.84 HRH3 (0.54) HRH3KMT2AMEN1PRMT5WDR77
SCHEMBL20803980 0.84 CXCR4 (0.42) HRH3SIGMAR1KMT2AMEN1PRMT5
SCHEMBL20098844 0.84 ALDH1A1 (0.50) HRH3TMEM97SIGMAR1CYP1A2CYP2D6
SCHEMBL28146346 0.82 HRH3 (0.49) HRH3CYP1A2CYP2D6
SCHEMBL13466407 0.82 ALDH1A1 (0.49) HRH3KMT2AMEN1PRMT5WDR77
SCHEMBL17403552 0.79 PRMT5 (0.40) HRH3TMEM97SIGMAR1KMT2AMEN1
SCHEMBL12064 0.78 HRH3 (0.55) HRH3CYP1A2CYP2D6SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 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 (4 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 2436/4885TMEM97 4620/4885SIGMAR1 4698/4885
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 HRH3 2525/4885TMEM97 3686/4885SIGMAR1 4451/4885
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 HRH3 3033/4885TMEM97 2548/4885SIGMAR1 2500/4885
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 HRH3 3033/4885TMEM97 2548/4885SIGMAR1 2500/4885

“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.