SCHEMBL2046958

SCHEMBL2046958

c1cnc2ccc3cn[nH]c3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 2/20 0.50
NOS1 P29475 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TGFBR1 P36897 4/20 0.40
MAPK14 Q16539 3/20 0.40
TGFBR2 P37173 1/20 0.40
ABL2 P42684 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31615135 1.00 MAPT (0.52) MAPTKDM4ECYP3A4LMNANOS1
Iodide SCHEMBL10698955 0.98 MAPT (0.50) MAPTKDM4ECYP3A4LMNANOS1
Bromide SCHEMBL10699155 0.98 MAPT (0.50) MAPTKDM4ECYP3A4LMNANOS1
Iodide SCHEMBL10698952 0.98 MAPT (0.50) MAPTKDM4ECYP3A4LMNANOS1
Bromide SCHEMBL10699150 0.98 MAPT (0.50) MAPTKDM4ECYP3A4LMNANOS1
SCHEMBL13166541 0.87 CYP3A4 (0.46) MAPTKDM4ECYP3A4LMNANOS1
SCHEMBL325731 0.78 KDM4E (0.53) KDM4ENOS1HSP90AA1TGFBR1MAPK14
SCHEMBL29479307 0.78 KDM4E (0.53) KDM4ENOS1HSP90AA1TGFBR1MAPK14
SCHEMBL15066960 0.77 ALDH1A1 (0.49) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL730906 0.76 LMNA (0.42) MAPTKDM4ECYP3A4LMNANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-20190330618-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2019-10-31 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
EP-2341140-A1 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-07-06 EP disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
EP-1957644-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2008-08-20 EP disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
US-4762843-A Hetero [f] fused carbocyclic pyridines as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1988-08-09 US disclosed
EP-0260642-A2 Thiazolo [f]-fused hexahydroquinoline derivatives as dopaminergic agents WARNER-LAMBERT COMPANY (US) 1988-03-23 EP 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 MAPT 3991/4885KDM4E 2912/4885CYP3A4 2432/4885

“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.