SCHEMBL22019081

SCHEMBL22019081

Clc1cccc2c1[nH]c1ccc3ccccc3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.61
▸ CYP2A6 P11509 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ AR P10275 1/20 0.47
▸ CDK4 P11802 8/20 0.47
▸ CCND1 P24385 8/20 0.47
▸ CCNB2 O95067 2/20 0.47
▸ CCNE2 O96020 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNB3 Q8WWL7 2/20 0.47
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CLK1 P49759 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL30282028 1.00 DYRK1A (0.61) DYRK1ACYP2A6CYP1A2ARCDK4
SCHEMBL12219437 0.83 KIF11 (0.57) CYP2A6CDK4CCND1CCNB2CCNE2
SCHEMBL30280567 0.82 CYP2A6 (0.52) DYRK1ACYP2A6CYP1A2CDK4CCND1
SCHEMBL30914258 0.82 KIF11 (0.66) CYP2A6CDK4CCND1CCNB2CCNE2
SCHEMBL6523866 0.82 KIF11 (0.66) CYP2A6CDK4CCND1CCNB2CCNE2
SCHEMBL30730994 0.82 KIF11 (0.66) CYP2A6CDK4CCND1CCNB2CCNE2
SCHEMBL22839599 0.81 KIF11 (0.61) DYRK1ACYP2A6CYP1A2ARCDK4
SCHEMBL23702735 0.79 CDK4 (0.47) DYRK1ACDK4CCND1CCNB2CCNE2
SCHEMBL17722737 0.79 CDK4 (0.49) DYRK1ACDK4CCND1CCNB2CCNE2
SCHEMBL24561610 0.79 CDK4 (0.47) DYRK1ACYP2A6CYP1A2ARCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137925-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD (JP) 2023-05-04 — — US disclosed
US-20230137925-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO.,LTD (JP) 2023-05-04 — — US disclosed
EP-4168417-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND Idemitsu Kosan Co., Ltd (JP) 2023-04-26 — — EP disclosed
CN-115715293-A Heterocyclic compound and organic electroluminescent device comprising the same 出光兴产株式会社 2023-02-24 — — CN disclosed
US-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2022-01-20 — — US disclosed
WO-2021255698-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2021-12-23 — — WO disclosed
WO-2021255698-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2021-12-23 — — WO disclosed
WO-2020101169-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS THEREOF 덕산네오룩스 주식회사 2020-05-22 — — 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 (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-20220020932-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF PIEZO1, OR51E2, OR10J3 DYRK1A 4439/4885CYP2A6 1577/4885CYP1A2 901/4885
US-20230137925-A1 HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND DDT, DDC, ODC1 DYRK1A 4330/4885CYP2A6 1956/4885CYP1A2 266/4885

“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.

Send feedback