SCHEMBL14315484

SCHEMBL14315484

CC(C)OC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HTT P42858 4/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ JMJD6 Q6NYC1 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL28950573 0.88 HDAC6 (0.60) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL29779902 0.83 KMT2A (0.52) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL1379298 0.83 KMT2A (0.52) RAB9ANPC1KMT2AMEN1CA12
Hydrochloric Acid SCHEMBL2958779 0.82 KMT2A (0.51) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL1378326 0.81 KMT2A (0.43) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL12173890 0.80 KDM4E (0.46) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL1965008 0.79 KMT2A (0.53) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL19390496 0.79 GABRA1 (0.49) RAB9ANPC1KMT2AMEN1CA12
SCHEMBL6441327 0.79 HDAC6 (0.52) RAB9ANPC1KMT2AMEN1HDAC6
Sulfuric Acid SCHEMBL7332400 0.78 KMT2A (0.48) RAB9ANPC1KMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 — — CN disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 — — CN disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 — — US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 — — US disclosed
EP-2743266-B1 PROTEIN KINASE INHIBITORS (VARIANTS), USE THEREOF IN TREATING ONCOLOGICAL DISEASES AND A PHARMACEUTICAL COMPOSITION BASED THEREON OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU FUSION PHARMA (RU) 2016-08-17 — — EP disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 — — US disclosed
EP-2743266-A2 PROTEIN KINASE INHIBITORS (VARIANTS), USE THEREOF IN TREATING ONCOLOGICAL DISEASES AND A PHARMACEUTICAL COMPOSITION BASED THEREON Obshchestvo S Ogranichennoy Otvetstvennostyou "Fusion Pharma" (RU) 2014-06-18 — — EP disclosed
WO-2012173521-A2 PROTEIN KINASE INHIBITORS (VARIANTS), USE THEREOF IN TREATING ONCOLOGICAL DISEASES AND A PHARMACEUTICAL COMPOSITION BASED THEREON ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ФЬЮЖН ФАРМА" (RU) 2012-12-20 — — 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 RAB9A 1864/4885NPC1 3370/4885KMT2A 1272/4885

“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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