SCHEMBL9925517

SCHEMBL9925517

O=Cc1nc2ccccn2c1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 11/20 0.47
NPC1 O15118 4/20 0.47
GAA P10253 4/20 0.47
GLA P06280 3/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 3/20 0.44
ATM Q13315 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL890634 0.81 MAPT (0.55) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL10539904 0.80 KMT2A (0.42) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL3861933 0.79 ALDH1A1 (0.51) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL22519132 0.79 KDM4E (0.55) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL13456146 0.79 KDM4E (0.47) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL29953452 0.79 PTGS1 (0.54) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL870880 0.79 ALDH1A1 (0.55) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL28570789 0.76 HSP90AA1 (0.47) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL13144230 0.75 ALDH1A1 (0.44) KDM4EMAPTNPSR1ALDH1A1NPC1
SCHEMBL31423761 0.75 HSD17B10 (0.50) KDM4EMAPTNPSR1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 EP disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-09-26 US disclosed
WO-2013132376-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER INC. (US) 2013-09-12 WO disclosed
US-20120149699-A1 IMIDAZO[1,2-a]PYRIDINE SULFONAMIDES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2012-06-14 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 (3 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-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 KDM4E 318/4885MAPT 1667/4885NPSR1 4732/4885
US-20120149699-A1 IMIDAZO[1,2-a]PYRIDINE SULFONAMIDES AS TRPM8 MODULATORS TRPM8, TRPV1, TRPM2 KDM4E 3480/4885MAPT 2927/4885NPSR1 201/4885
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 KDM4E 318/4885MAPT 1667/4885NPSR1 4732/4885

“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.