SCHEMBL5196384

SCHEMBL5196384

CC(=O)Nc1ncc2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP1A2 P05177 2/20 0.38
PIK3CA P42336 1/20 0.36
MAP3K5 Q99683 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL30151959 0.85 SYK (0.34) GDAKDM4EPOLBL3MBTL1NPC1
SCHEMBL3426594 0.79 MMP12 (0.32) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL4405832 0.77 CYP1A2 (0.50) CYP1A2ADORA3ADORA1LMNACYP2C9
SCHEMBL7522894 0.77 KDM4E (0.33) KDM4E
SCHEMBL30677393 0.77 KDM4E (0.36) KDM4EL3MBTL1LMNA
SCHEMBL5072697 0.77 EGFR (0.36) KDM4E
SCHEMBL30850504 0.77 EGFR (0.36) KDM4E
SCHEMBL5828206 0.77 KDM4E (0.36) KDM4EL3MBTL1LMNA
SCHEMBL4511037 0.77 QPCT (0.30)
SCHEMBL7771667 0.76 SLC2A1 (0.37) GDAKDM4EHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107722009-B Process for producing cyclopropane derivative 阿拉塔纳医疗股份有限公司 2020-12-01 CN disclosed
EP-3020712-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2018-07-04 EP disclosed
EP-3020712-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2016-05-18 EP disclosed
EP-2776414-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2016-03-16 EP disclosed
US-9040699-B2 Method for preparing cyclopropane derivatives ARATANA THERAPEUTICS NV (BE) 2015-05-26 US disclosed
US-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2015-02-19 US disclosed
EP-2776414-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2014-09-17 EP disclosed
WO-2013068042-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES OKAPI SCIENCES NV (BE) 2013-05-16 WO disclosed
EP-1816135-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof Ajinomoto Co., Inc. (JP) 2007-08-08 EP disclosed
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof AJINOMOTO CO. INC. (JP) 2007-08-02 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 (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-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES HTR6, P2RY6, HTR1D GDA 1270/4885HTR1A 6/4885HTR1D 3/4885
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof PNP, NUDT1, ADAR GDA 104/4885HTR1A 1663/4885HTR1D 1096/4885

“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.