SCHEMBL5848616

SCHEMBL5848616

CCc1nn2ccccc2c1NCCCF

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
HDAC1 Q13547 2/20 0.36
KCNH2 Q12809 1/20 0.32
DRD3 P35462 3/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
EGFR P00533 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MIF P14174 1/20 0.30
MMP3 P08254 1/20 0.30
MMP12 P39900 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
SCHEMBL4040645 0.73 HDAC1 (0.43) HDAC1KCNH2EGFRMAPTALDH1A1
SCHEMBL5849728 0.73 APP (0.38) APPHDAC1KCNH2DRD3DRD2
SCHEMBL5847931 0.72 MAP4K4 (0.47) HDAC1KCNH2EGFRMAPTALDH1A1
SCHEMBL5847203 0.71 CRHR1 (0.39) APPHDAC1KCNH2DRD3DRD2
SCHEMBL4034627 0.71 MMP3 (0.41) HDAC1DRD3DRD2DRD4MMP3
Hydrochloric Acid SCHEMBL4035325 0.70 KCNH3 (0.42) HDAC1DRD3DRD2DRD4MMP3
SCHEMBL23382438 0.70 HDAC1 (0.46) HDAC1KCNH2DRD3DRD2DRD4
SCHEMBL6489306 0.70 DRD2 (0.39) HDAC1KCNH2DRD3DRD2DRD4
SCHEMBL6489300 0.68 DRD4 (0.38) HDAC1KCNH2DRD3DRD2DRD4
SCHEMBL5847660 0.68 EGFR (0.41) HDAC1KCNH2DRD3DRD2DRD4

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-7151109-B2 Pyrazolo[1,5-a]pyridine derivatives and their use as neurotransmitter modulators PHARMACIA & UPJOHN COMPANY LLC (US) 2006-12-19 US disclosed
EP-1485384-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS Pharmacia & Upjohn Company LLC (US) 2004-12-15 EP disclosed
US-20040002511-A1 Novel pyrazolo[1,5-a]pyridine derivatives and their use as neurotransmitter modulators PHARMACIA & UPJOHN COMPANY 2004-01-01 US disclosed
WO-2003078435-A1 PYRAZOLO(1,5-A)PYRIDINE DERIVATIVES AS NEUROTRANSMITTER MODULATORS PHARMACIA & UPJOHN COMPANY LLC (US) 2003-09-25 WO 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-20040002511-A1 Novel pyrazolo[1,5-a]pyridine derivatives and their use as neurotransmitter modulators CRHR1, HTR5A, CRH APP 1196/4885HDAC1 1859/4885KCNH2 2731/4885

“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.