SCHEMBL15545836

SCHEMBL15545836

Nc1cnc(-c2ccc(N3CCOCC3)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
LGMN Q99538 3/20 0.50
ADK P55263 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JAK2 O60674 3/20 0.46

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
SCHEMBL7316756 0.77 KDM4E (0.51) LGMNMAPTNPC1TP53ALOX15
SCHEMBL15545470 0.76 POLB (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23438586 0.76 PIK3CA (0.72) PIK3CAMTORAKT1
SCHEMBL28807744 0.75 HTR2C (0.44) LGMNMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2790636 0.74 SMN1; SMN2 (0.48) MAPTNPC1TP53ALOX15RAB9A
SCHEMBL15545775 0.72 CYP1A2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14320289 0.71 PIK3R1 (0.59) LGMNMAPTNPC1TP53ALOX15
SCHEMBL521049 0.70 PIK3CA (0.56) LGMNADKMAPTNPC1TP53
SCHEMBL31603866 0.70 XDH (0.52) LGMNADKMAPTNPC1TP53
SCHEMBL9093746 0.70 LMNA (0.71) LGMNMAPTNPC1TP53ALOX15

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-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
CN-103570630-B Nitrogen heterocyclic derivative and the application in medicine thereof SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-04-20 CN disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
CN-103570630-A Heterocyclic nitrogen derivative and application thereof in medicines GUANGDONG HEC PHARMACEUTICAL 2014-02-12 CN disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP HDAC3 2601/4885HDAC4 3266/4885HDAC1 2051/4885

“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.