SCHEMBL4038514

SCHEMBL4038514

COCc1nn2c(Br)cccc2c1N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4041236 0.83 GRM2 (0.32) ALDH1A1LMNAKDM4EMAPK1HTT
SCHEMBL1942087 0.76 PDE4B (0.32)
SCHEMBL4033098 0.76 ALDH1A1 (0.33) RAB9ANPC1ALDH1A1LMNANPSR1
SCHEMBL4032511 0.74 SMN1; SMN2 (0.37) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL4032624 0.68 CRHR1 (0.60)
SCHEMBL4034881 0.66 PDE4B (0.34) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1942265 0.62 ALDH1A1 (0.35) RAB9ANPC1ALDH1A1LMNAMEN1
SCHEMBL20731026 0.59 EIF4A3 (0.33) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL30601048 0.58 LMNA (0.39) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL23363304 0.58 LMNA (0.33) RAB9ANPC1ALDH1A1LMNAMEN1

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 7 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
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-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 RAB9A 1446/4885NPC1 2600/4885ALDH1A1 2616/4885
US-20080076943-A1 7-PHENYLPYRAZOLOPYRIDINE COMPOUNDS MC2R, CRHR1, CRHR2 RAB9A 1415/4885NPC1 2954/4885ALDH1A1 3348/4885
US-20060235011-A1 7-Phenyl pyrazolopyridine compounds MC2R, CRHR1, CRHR2 RAB9A 1273/4885NPC1 3036/4885ALDH1A1 3334/4885

“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.