SCHEMBL16906050

SCHEMBL16906050

Clc1ncc2sc3ccccc3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.45
▸ LIMK1 P53667 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35

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
SCHEMBL17740734 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1KDM4E
SCHEMBL20457808 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1EGFR
SCHEMBL17109969 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1EGFR
SCHEMBL14949584 0.79 LIMK1 (0.51) GPR3LIMK1CDK5CDK5R1KDM4E
SCHEMBL16902379 0.76 NPC1 (0.46) GPR3LIMK1CDK5CDK5R1MAPT
SCHEMBL17044919 0.75 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1KDM4E
SCHEMBL17463988 0.75 GPR3 (0.41) GPR3LIMK1CDK5CDK5R1EGFR
SCHEMBL14629295 0.75 GPR3 (0.41) GPR3LIMK1CDK5CDK5R1KDM4E
SCHEMBL18194539 0.75 MAPT (0.42) LIMK1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL24056925 0.74 GPR3 (0.48) GPR3LIMK1CDK5CDK5R1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119452060-A Material for electronic devices 默克专利有限公司 2025-02-14 — — CN disclosed
WO-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 — — WO disclosed
US-20170352447-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2017-12-07 — — US disclosed
US-20170352447-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2017-12-07 — — US disclosed
US-20160322585-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-11-03 — — US disclosed
US-20160322585-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2016-11-03 — — US disclosed
US-9181270-B2 Method of making sulfide compounds UNIVERSAL DISPLAY CORPORATION (US) 2015-11-10 — — US disclosed
US-20150246928-A1 METHOD OF MAKING SULFIDE COMPOUNDS UNIVERSAL DISPLAY CORPORATION (US) 2015-09-03 — — US disclosed
WO-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — 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-20150246928-A1 METHOD OF MAKING SULFIDE COMPOUNDS CBS, SCLY, QSOX1 GPR3 562/4885LIMK1 2673/4885CDK5 1033/4885
US-20160322585-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 GPR3 3366/4885LIMK1 1225/4885CDK5 75/4885

“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.

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