SCHEMBL620686

SCHEMBL620686

N#Cc1cccc(-c2[c]cccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
ADRA2C P18825 1/20 0.43
MAOB P27338 2/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
IDO1 P14902 2/20 0.41
NOTUM Q6P988 1/20 0.41
TSHR P16473 1/20 0.40
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
ADORA2B P29275 2/20 0.39
CHEK1 O14757 1/20 0.39
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL11007233 0.84 CLK4 (0.49) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL2465105 0.79 TSHR (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18422652 0.78 CYP11B2 (0.44) ADORA1IDO1
SCHEMBL183516 0.76 ALDH1A1 (0.35)
SCHEMBL2154026 0.76 CLK4 (0.65) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL26567 0.75 MAOA (0.41)
SCHEMBL589437 0.75 MAOA (0.41)
SCHEMBL29425207 0.74 GABRG2 (0.61) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL270874 0.74 GABRG2 (0.61) CLK4GABRA1GABRG2GABRB3GABRA5
SCHEMBL7982316 0.74 MEN1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970307-A1 PYRAZOLO COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2016-01-20 EP claimed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO claimed
CN-108699058-B Hetero-fused phenylquinazolines and their use in electronic devices 出光兴产株式会社 2022-07-08 CN disclosed
EP-3356369-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING TRIAZINE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2022-05-04 EP disclosed
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 US disclosed
EP-3356368-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2021-07-21 EP disclosed
EP-3150604-B1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLYLYL GROUPS, CARBAZOLYL GROUPS, BENZOFURANE GROUPS OR BENZOTHIOPHENE GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO (JP) 2021-07-14 EP disclosed
EP-2790239-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2020-02-05 EP disclosed
EP-3394062-B1 HETERO-CONDENSED PHENYLQUINAZOLINES AND THEIR USE IN ELECTRONIC DEVICES IDEMITSU KOSAN CO (JP) 2019-10-02 EP disclosed
US-20190006601-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES CONTAINING THEM IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 US disclosed
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 US disclosed
EP-2790239-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd (JP) 2014-10-15 EP disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
US-20140151647-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-06-05 US disclosed
US-20140001446-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-01-02 US disclosed
US-20130234119-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-09-12 US disclosed
EP-2603487-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 WO disclosed
EP-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 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 (3 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-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 CLK4 3274/4885GABRA1 154/4885GABRG2 362/4885
US-20190002469-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES KCNH2, KCNH3, KCNJ2 CLK4 3274/4885GABRA1 154/4885GABRG2 362/4885
US-20190006601-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICES CONTAINING THEM SLC39A11, S100A11, SLC29A1 CLK4 4737/4885GABRA1 4021/4885GABRG2 4227/4885

“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.