SCHEMBL12354513

SCHEMBL12354513

Cc1ccc2c(c1)nc(-c1ccccn1)n2C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
ACSS2 Q9NR19 1/20 0.51
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
METAP2 P50579 2/20 0.47
METAP1 P53582 2/20 0.47
CBFB Q13951 1/20 0.47
KDR P35968 1/20 0.46
PTK2 Q05397 1/20 0.46
CYP19A1 P11511 1/20 0.46
DHFR P00374 1/20 0.46
ALOX5AP P20292 1/20 0.45

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
Hydrochloric Acid SCHEMBL7177258 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7181558 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7175841 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7183796 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7176394 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7183283 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
Hydrochloric Acid SCHEMBL7173979 0.84 ACSS2 (0.50) CA12CA9NPC1RAB9AACSS2
SCHEMBL172248 0.84 CYP19A1 (0.61) CA12CA9NPC1RAB9AKDM4E
SCHEMBL1104861 0.81 CA12 (0.46) CA12CA9NPC1RAB9AKDM4E
SCHEMBL1104836 0.81 HRH3 (0.52) CA12CA9DHFRFGFR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11189809-B2 Organic EL device and display unit SONY CORPORATION (JP) 2021-11-30 US disclosed
US-20170271609-A1 ORGANIC EL DEVICE AND DISPLAY UNIT SONY CORPORATION (JP) 2017-09-21 US disclosed
US-20170271609-A1 ORGANIC EL DEVICE AND DISPLAY UNIT SONY CORPORATION (JP) 2017-09-21 US disclosed
US-9089136-B2 Pyrimidine compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-8586202-B2 Organic electroluminescent device and display device SONY CORPORATION (JP) 2013-11-19 US disclosed
US-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
US-8541111-B2 Organic electroluminescent device and display apparatus SONY CORPORATION (JP) 2013-09-24 US disclosed
US-8541111-B2 Organic electroluminescent device and display apparatus SONY CORPORATION (JP) 2013-09-24 US disclosed
US-8530062-B2 Organic electroluminescent element and display SONY CORPORATION (JP) 2013-09-10 US disclosed
US-8530062-B2 Organic electroluminescent element and display SONY CORPORATION (JP) 2013-09-10 US disclosed
US-20110198577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE SONY CORPORATION (JP) 2011-08-18 US disclosed
US-20110198577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE SONY CORPORATION (JP) 2011-08-18 US disclosed
US-20110024736-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY SONY CORPORATION (JP) 2011-02-03 US disclosed
US-20110024736-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY SONY CORPORATION (JP) 2011-02-03 US disclosed
US-20100253214-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2010-10-07 US disclosed
US-20100253214-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY DEVICE SONY CORPORATION (JP) 2010-10-07 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 US disclosed
US-20080292904-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS SONY CORPORATION (JP) 2008-11-27 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 (2 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-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL ZCCHC8, RRS1, HRH4 CA12 4573/4885CA9 3672/4885NPC1 3537/4885
US-11189809-B2 Organic EL device and display unit L1CAM, ESR1, EPHA8 CA12 1849/4885CA9 1247/4885NPC1 1855/4885

“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.