SCHEMBL902241

SCHEMBL902241

O=C(O)COc1[c]cccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.53
KMT2A Q03164 3/20 0.47
CD69 Q07108 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
PTPN7 P35236 2/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.40
PAM P19021 1/20 0.39
PTPRC P08575 1/20 0.39

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
SCHEMBL6491544 0.84 TDP1 (0.49) ALOX15KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL11850746 0.83 KMT2A (0.39) ALOX15KMT2AL3MBTL1POLBSMN1; SMN2
SCHEMBL1803317 0.83 KDM4E (0.46) ALOX15KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL826072 0.81 LMNA (0.49) ALOX15L3MBTL1FFAR1ALDH1A1LMNA
SCHEMBL7476929 0.81 HPGD (0.44) ALOX15KMT2AL3MBTL1PTPN7ALDH1A1
SCHEMBL7048126 0.80 HSD11B1 (0.35) ALOX15L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL16390799 0.80 PPARA (0.44) SMN1; SMN2FFAR1ALDH1A1MAPTLMNA
SCHEMBL9695964 0.80 PTGDR2 (0.33) ALOX15ALDH1A1PTGDR2TDP1
SCHEMBL2565533 0.80 KMT2A (0.40) KMT2AL3MBTL1POLBSMN1; SMN2ALDH1A1
SCHEMBL6913802 0.79 PPARA (0.50) SMN1; SMN2FFAR1ALDH1A1MAPT

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 262 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032813-A1 NEW 5-SUBSTITUTED DERIVATIVES OF 5-HYDRAZINO-3-METHYLISOTHIAZOLE-4- ACID CARBOXYLIC ACID WITH ANTI-TUMOR ACTIVITY AND THE METHOD OF THEIR PREPARATION AND USES UNIWERSYTET MEDYCZNY IM. PIASTÓW ŚLĄSKICH WE WROCŁAWIU (PL) 2020-02-13 WO claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2015-04-16 US claimed
EP-2852586-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2015-04-01 EP claimed
WO-2015042111-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. (US) 2015-03-26 WO claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 US claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 US claimed
CN-1244867-A Substituted nitrogen-containing heterocycles as P38 protein kinase inhibitors VERTEX PHARMA (US) 2000-02-16 CN claimed
EP-0320776-B1 COLOR PHOTOGRAPHIC SILVER HALIDE MATERIAL Agfa-Gevaert AG (DE) 1993-03-31 EP claimed
US-4898811-A STABILITY AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
EP-0320776-A2 Color photographic silver halide material Agfa-Gevaert AG (DE) 1989-06-21 EP claimed
US-4091213-A 7-Cyclizedamino-3-heterothiomethyl cephalosporin derivatives BRISTOL-MYERS COMPANY (US) 1978-05-23 US claimed
US-4026888-A ANTIBIOTICS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-05-31 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 ALOX15 4542/4885KMT2A 3524/4885CD69 4652/4885
US-20150105389-A1 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS MAP3K13, MAP3K3, MAP3K1 ALOX15 4075/4885KMT2A 2811/4885CD69 4809/4885

“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.