SCHEMBL4034627

SCHEMBL4034627

CCc1nn2ccccc2c1NCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
TRPC5 Q9UL62 1/20 0.37
CRHR1 P34998 6/20 0.36
HTR4 Q13639 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CSF1R P07333 1/20 0.34
FYN P06241 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
Hydrochloric Acid SCHEMBL4035325 0.99 KCNH3 (0.42) MMP3MMP12KCNH3TRPC5CRHR1
SCHEMBL4035512 0.79 MMP12 (0.47) MMP3MMP12HTR1ADRD2DRD4
SCHEMBL13909016 0.77 CRHR1 (0.48) MMP3MMP12CRHR1CYP2D6CSF1R
SCHEMBL3775689 0.75 CRHR1 (0.58) CRHR1
SCHEMBL29631292 0.74 KCNH3 (0.40) KCNH3HTR4CYP3A4CYP2D6PIM1
SCHEMBL4034624 0.72 MMP3 (0.39) MMP3MMP12CRHR1CYP2D6HTR1A
Hydrochloric Acid SCHEMBL4035323 0.71 MMP3 (0.39) MMP3MMP12CRHR1CYP2D6HTR1A
SCHEMBL4032505 0.71 CRHR1 (0.43) MMP3MMP12CRHR1HDAC1
SCHEMBL3033724 0.71 PIK3CA (0.38) MMP3MMP12HTR4HTR1ADRD2
SCHEMBL5848616 0.71 APP (0.37) MMP3MMP12HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
EP-1555265-B1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2009-03-25 EP disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS HIBI SHIGEKI 2008-03-27 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7323569-B2 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-29 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-7176216-B2 7-phenylpyrazolopyridine compounds EISAI CO., LTD. (JP) 2007-02-13 US disclosed
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds EISAI CO.LTD. (JP) 2006-10-19 US disclosed
EP-1555265-A1 7-PHENYL PYRAZOLOPYRIDINE COMPOUNDS Eisai Co., Ltd. (JP) 2005-07-20 EP disclosed
US-20040224974-A1 7-phenylpyrazolopyridine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-11 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 (3 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-20040224974-A1 7-phenylpyrazolopyridine compounds CRHR1, MC2R, CRH MMP3 1834/4885MMP12 3639/4885KCNH3 393/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 MMP3 1911/4885MMP12 2926/4885KCNH3 476/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 MMP3 2115/4885MMP12 3041/4885KCNH3 567/4885

“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.