SCHEMBL317372

SCHEMBL317372

N#Cc1cccc2c(Cl)ccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 3/20 0.43
HSP90AA1 P07900 3/20 0.43
MAPT P10636 3/20 0.43
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
NR4A2 P43354 1/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
LRRK2 Q5S007 2/20 0.42
MMP14 P50281 3/20 0.42
HTT P42858 3/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
ALOX12 P18054 2/20 0.42

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
SCHEMBL7323209 0.86 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL23832886 0.83 HTT (0.46) KDM4EALDH1A1KMT2AMAPTNR4A2
SCHEMBL3156281 0.79 PSMD14 (0.56) ALDH1A1HSP90AA1POLBLRRK2HTT
SCHEMBL10008410 0.79 NR4A2 (0.56) ALDH1A1TDP1HSP90AA1NR4A2LRRK2
SCHEMBL4496517 0.79 NR4A2 (0.61) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL4012471 0.79 KDM4E (0.42) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL667933 0.79 HTT (0.42) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL318769 0.77 NR4A2 (0.68) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL29410781 0.77 NR4A2 (0.68) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL4020656 0.76 PTGDR2 (0.41) KDM4EALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
WO-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-04-09 US disclosed
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2018-10-02 US disclosed
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2017-05-11 US disclosed
US-9586938-B2 Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2017-03-07 US disclosed
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
CN-103140484-B Cyclic amine azaheterocyclic carboxamides MERCK PATENT GMBH 2015-04-22 CN disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (6 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 KDM4E 2792/4885ALDH1A1 891/4885MEN1 4566/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 KDM4E 4780/4885ALDH1A1 533/4885MEN1 4579/4885
US-20200108071-A1 IMIDAZOPYRIMIDINE DERIVATIVES DPYD, KRAS, ABL1 KDM4E 2055/4885ALDH1A1 136/4885MEN1 979/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 KDM4E 2055/4885ALDH1A1 136/4885MEN1 979/4885
US-20170129877-A1 Cyclic Amine Azaheterocyclic Carboxamides MKI67, AZI2, PCNA KDM4E 507/4885ALDH1A1 673/4885MEN1 563/4885
US-10087166-B2 Cyclic amine azaheterocyclic carboxamides MKI67, AZI2, PCNA KDM4E 507/4885ALDH1A1 673/4885MEN1 563/4885

“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.