SCHEMBL15521007

SCHEMBL15521007

Nc1ccc2[nH]nc(OCCN3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.49
▸ JAK2 O60674 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MET P08581 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL2928975 0.91 GRM4 (0.49) GRM4JAK2MEN1KMT2AALDH1A1
SCHEMBL1415081 0.84 GRM4 (0.46) GRM4JAK2MEN1KMT2AMET
SCHEMBL3362693 0.83 MEN1 (0.56) GRM4MEN1KMT2AALDH1A1MAOB
SCHEMBL15516835 0.81 CNR2 (0.52) GRM4KMT2AALDH1A1KDM4ELMNA
SCHEMBL11816831 0.77 KDM4E (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL1414977 0.76 MET (0.57) GRM4MEN1KMT2AMETALDH1A1
SCHEMBL2924155 0.74 MAPT (0.48) GRM4MEN1KMT2AALDH1A1KDM4E
SCHEMBL14735046 0.74 PARP1 (0.50) MEN1KMT2AALDH1A1KDM4EMAOA
SCHEMBL2295466 0.73 MET (0.49) JAK2METMAOB
SCHEMBL14204158 0.72 CA12 (0.65) ALDH1A1KDM4ELMNATSHR

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
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 — — US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 — — US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 — — US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 — — US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 — — US disclosed
US-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2015-07-23 — — US disclosed
WO-2014033448-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS RESPIVERT LIMTED (GB) 2014-03-06 — — 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-20150203475-A1 PYRAZOLE DERIVATIVES AS P38 MAP INHIBITORS SYK, FYN, MAPK1 GRM4 3931/4885JAK2 100/4885MEN1 4768/4885

“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.

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