SCHEMBL12354292

SCHEMBL12354292

CC(C)n1c(N2CCNCC2)nc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.50
HTR2C P28335 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR1A P08908 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
PIM1 P11309 1/20 0.45
TP53 P04637 1/20 0.44
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
TSHR P16473 1/20 0.41
PLD1 Q13393 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6770901 0.82 HTR2C (0.56) HTR3AHTR2CHTR3EHTR3BHTR1A
SCHEMBL6771824 0.79 CYP1A2 (0.56) HTR3AALDH1A1
SCHEMBL12354287 0.78 HTR3A (0.50) HTR3AHTR2CHTR3EHTR3BHTR1A
SCHEMBL12354269 0.78 HTR3E (0.55) HTR3AHTR2CHTR3EHTR3BHTR1A
SCHEMBL1106498 0.71 CSNK1E (0.47) TP53TSHRKDM4EALDH1A1
SCHEMBL21363710 0.70 CYP1A2 (0.41) TP53TSHRKDM4E
SCHEMBL12354239 0.70 PDE2A (0.43) TP53TSHR
SCHEMBL21924776 0.70 PDE10A (0.39) TP53TSHRALDH1A1
SCHEMBL16939382 0.70 PDE10A (0.43) TP53TSHRALDH1A1
SCHEMBL12464592 0.70 KDM4E (0.42) TP53TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-7994173-B2 2-piperazin-1-yl-3H-imidazo[4,5-b]pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-09 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 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-20100004260-A1 2-PIPERAZIN-1-YL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES PDE3A, PDE3B, PTGIS HTR3A 326/4885HTR2C 252/4885HTR3E 576/4885

“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.