SCHEMBL17486128

SCHEMBL17486128

Clc1nc(-c2cccnc2)nc(-c2cccnc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
HPGD P15428 4/20 0.59
TP53 P04637 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
CYP2A6 P11509 7/20 0.57
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA4 P43681 1/20 0.52
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.50
NPC1 O15118 3/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL17050896 0.96 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL22650230 0.94 KMT2A (0.54) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL21707244 0.90 CYP2A6 (0.56) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL5032444 0.89 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL29543568 0.89 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL17470582 0.87 CYP2A6 (0.52) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL29603965 0.87 CYP2A6 (0.52) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL20465274 0.87 MKNK1 (0.53) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL22130016 0.86 CYP2A6 (0.56) ALDH1A1SMN1; SMN2HPGDTP53KDM4E
SCHEMBL24813326 0.85 CYP2A6 (0.60) ALDH1A1SMN1; SMN2HPGDTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120356-A Organic compound, mixture, composition and organic electronic device comprising same 广州华睿光电材料有限公司 2023-05-16 CN disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-10968208-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2021-04-06 US disclosed
US-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-16 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2017043797-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-03-16 WO disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (5 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC ALDH1A1 2742/4885SMN1; SMN2 4799/4885HPGD 4368/4885
US-10968208-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof PIEZO1, OCIAD1, EML4 ALDH1A1 346/4885SMN1; SMN2 1282/4885HPGD 3515/4885
US-20200223835-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, EML4 ALDH1A1 346/4885SMN1; SMN2 1282/4885HPGD 3515/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 ALDH1A1 2597/4885SMN1; SMN2 4144/4885HPGD 4429/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885SMN1; SMN2 3736/4885HPGD 3882/4885

“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.