SCHEMBL10134976

SCHEMBL10134976

N#Cc1ccc2c(c1)nc(N1CCN(c3ccccn3)CC1)c1ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDE5A O76074 2/20 0.45
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CSNK2A1 P68400 3/20 0.40
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
CYP1A2 P05177 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
SCHEMBL13688088 0.84 ALDH1A1 (0.44) ALDH1A1RAB9AMEN1NPC1KMT2A
SCHEMBL10134989 0.84 HRH4 (0.55) ALDH1A1MEN1KMT2APDE5AKDM4E
SCHEMBL10134999 0.82 HTR2C (0.48) PDE5ALMNACSNK2A1HRH4CYP1A2
SCHEMBL10134893 0.80 HRH4 (0.51) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL10134985 0.78 CSNK2A1 (0.44) ALDH1A1KDM4ETSHRLMNAHSD17B10
SCHEMBL10134897 0.78 HRH1 (0.47) ALDH1A1PDE5AKDM4ETSHRHTT
SCHEMBL10134963 0.76 HRH3 (0.45) CSNK2A1HRH4
SCHEMBL10134978 0.76 GRIA1 (0.41) ALDH1A1RAB9ANPC1KMT2AKDM4E
SCHEMBL10134961 0.76 HRH4 (0.40) TSHRCSNK2A1HRH4CYP1A2CYP3A4
SCHEMBL10134996 0.75 PRKCI (0.46) CSNK2A1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 ALDH1A1 3801/4885RAB9A 4378/4885MEN1 3739/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 ALDH1A1 3801/4885RAB9A 4378/4885MEN1 3739/4885

“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.