SCHEMBL17805239

SCHEMBL17805239

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6nn(-c7ccc(-c8ccnc9ccccc89)cc7)nc6c5)ccc34)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 7/20 0.41
PIK3CA P42336 5/20 0.40
AAK1 Q2M2I8 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
BMPR1B O00238 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
PIK3CD O00329 1/20 0.36
MTOR P42345 1/20 0.36
GRM4 Q14833 4/20 0.36
HTR2B P41595 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL17812867 0.87 NPC1 (0.39) PIK3CAMAPTRAB9ANPC1PDGFRB
SCHEMBL15977658 0.86 PIK3CA (0.50) ACVR1PIK3CAAAK1RAB9ANPC1
SCHEMBL19529190 0.85 KDM4E (0.44) PIK3CAMAPTRAB9ANPC1PIK3CD
SCHEMBL17812865 0.84 CYP11B1 (0.46) PIK3CAMAPTRAB9ANPC1
SCHEMBL16355349 0.84 MAPK10 (0.39) PIK3CA
SCHEMBL17805188 0.83 PIK3CA (0.43) ACVR1PIK3CAMAPTRAB9ANPC1
SCHEMBL15977435 0.83 ACVR1 (0.50) ACVR1PIK3CAAAK1RAB9ANPC1
SCHEMBL17812843 0.82 CYP11B1 (0.44) PIK3CAMAPTRAB9ANPC1PIK3CD
SCHEMBL17812866 0.82 CYP11B1 (0.39) ACVR1PIK3CAMAPTRAB9ANPC1
SCHEMBL30911063 0.80 CYP11B2 (0.52) ACVR1PIK3CAMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10593884-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-04 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-9842999-B2 Benzotriazole derivative and an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2017-11-30 US disclosed
WO-2016111254-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 保土谷化学工業株式会社 2016-07-14 WO disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2016-06-09 US disclosed
EP-3029034-A1 BENZOTRIAZOLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2016-06-08 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 (4 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-10593884-B2 Organic electroluminescent device AHR, SLC18A1, KCNH1 ACVR1 86/4885PIK3CA 3361/4885AAK1 995/4885
US-20180006235-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, KCNH1 ACVR1 86/4885PIK3CA 3361/4885AAK1 995/4885
US-20160164001-A1 A BENZOTRIAZOLE DERIVATIVE AND AN ORGANIC ELECTROLUMINESCENT DEVICE AHR, ARNT, NAT1 ACVR1 315/4885PIK3CA 4809/4885AAK1 1108/4885
US-20170346009-A1 ORGANIC ELECTROLUMINESCENT DEVICE AHR, SLC18A1, ARNT ACVR1 448/4885PIK3CA 3322/4885AAK1 1725/4885

“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.