SCHEMBL6311653

SCHEMBL6311653

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)CCO)C2)c2c(nc3ccccn32)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
MAPK8 P45983 2/20 0.31
BTK Q06187 2/20 0.31
MRGPRX2 Q96LB1 2/20 0.31
MAPK10 P53779 1/20 0.31
MCHR1 Q99705 2/20 0.31
CHIA Q9BZP6 1/20 0.30
HTR1D P28221 2/20 0.30
HTR3A P46098 2/20 0.30
HTR6 P50406 2/20 0.30
TMEM97 Q5BJF2 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR1B P28222 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL6654557 0.89 CHRM4 (0.37) HRH3MCHR1
SCHEMBL6310382 0.85 CKS1B (0.37) KCNH2
SCHEMBL6319498 0.80 PIK3CD (0.31) PIK3CD
SCHEMBL6311937 0.79 PIK3CD (0.33) PIK3CD
SCHEMBL6311792 0.79 AKT1 (0.40)
SCHEMBL6319337 0.78 CSNK1E (0.35) PIK3CD
SCHEMBL6312100 0.78 MAPK8 (0.36) HRH1KCNH2JAK2JAK3MAPK8
SCHEMBL6316795 0.77 EIF4E (0.35) HRH3KCNH2MAPK8BTKMRGPRX2
SCHEMBL6317942 0.77 KMT2A (0.38) CYP2D6HTR3APIK3CD
SCHEMBL6313201 0.76 MCHR1 (0.35) MAPK8BTKMRGPRX2MAPK10MCHR1

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-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 HRH3 3867/4885CYP2D6 1018/4885HRH1 3137/4885

“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.