SCHEMBL15501879

SCHEMBL15501879

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR3 P46089 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PIM3 Q86V86 1/20 0.37

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
SCHEMBL23633532 0.99 CYP1A2 (0.43) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL21109065 0.97 CYP1A2 (0.42) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL17693932 0.97 CYP1A2 (0.42) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL27252325 0.96 CYP1A2 (0.41) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL15501661 0.96 CYP1A2 (0.43) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL23920388 0.96 PIM3 (0.42) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL15501382 0.96 CYP1A2 (0.43) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL24266849 0.95 GPR3 (0.45) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL23920336 0.95 GPR3 (0.45) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1
SCHEMBL15501620 0.95 MEN1 (0.40) SMN1; SMN2CYP1A2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49237-E1 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2022-10-04 US disclosed
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
US-20210074925-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-03-11 US disclosed
US-20190348615-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-11-14 US disclosed
US-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-09-17 US disclosed
US-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-02-05 US disclosed
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-9397307-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2016-07-19 US disclosed
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-20140231769-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 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 (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-10418563-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 SMN1; SMN2 2448/4885CYP1A2 533/4885MEN1 3323/4885
US-20180102485-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT RER1, L1CAM, ESR1 SMN1; SMN2 2448/4885CYP1A2 533/4885MEN1 3323/4885
US-11374176-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 SMN1; SMN2 2448/4885CYP1A2 533/4885MEN1 3323/4885
US-10199580-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element RER1, L1CAM, ESR1 SMN1; SMN2 2447/4885CYP1A2 572/4885MEN1 3295/4885
US-20190348615-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT RER1, L1CAM, ESR1 SMN1; SMN2 2448/4885CYP1A2 533/4885MEN1 3323/4885

“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.