SCHEMBL423171

SCHEMBL423171

Cc1ccc(-c2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNA7 P36544 2/20 0.42
HTR3A P46098 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL17055375 0.98 RAB9A (0.53) RAB9ANPC1USP2TP53PKM
SCHEMBL17051575 0.87 NPC1 (0.44) RAB9ANPC1USP2TP53PKM
SCHEMBL17055542 0.87 LDHA (0.47) RAB9ANPC1USP2TP53PKM
SCHEMBL2493590 0.84 RAB9A (0.62) RAB9ANPC1USP2TP53PKM
SCHEMBL17055379 0.84 MAPT (0.45) RAB9ANPC1USP2TP53PKM
SCHEMBL24689621 0.83 SMARCA2 (0.41) RAB9ANPC1USP2TP53PKM
SCHEMBL17055412 0.82 NPC1 (0.53) RAB9ANPC1USP2TP53PKM
SCHEMBL10000239 0.81 NPC1 (0.53) RAB9ANPC1TP53PKMSMN1; SMN2
SCHEMBL29105358 0.81 NPC1 (0.57) RAB9ANPC1USP2TP53PKM
SCHEMBL30661709 0.81 NPC1 (0.57) RAB9ANPC1USP2TP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
EP-4242205-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
EP-4243101-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed
WO-2023136457-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 WO disclosed
US-20230183279-A1 ORGANOMETALLIC COMPLEX, LIGHT EMITTING DIODE, AND ELECTRONIC DEVICE KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-06-15 US disclosed
US-20230183279-A1 ORGANOMETALLIC COMPLEX, LIGHT EMITTING DIODE, AND ELECTRONIC DEVICE KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-06-15 US disclosed
US-11653564-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-05-16 US disclosed
US-11653564-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-05-16 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-7348327-B2 Compounds SANOFI-AVENTIS (FR) 2008-03-25 US disclosed
US-7348327-B2 Compounds SANOFI-AVENTIS (FR) 2008-03-25 US disclosed
WO-2008011176-A9 MYOSIN LIGHT CHAIN KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND RELATED METHODS OF USE UNIV NORTHWESTERN (US) 2008-03-06 WO disclosed
WO-2008011176-A2 MYOSIN LIGHT CHAIN KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2008-01-24 WO disclosed
US-20080021035-A1 Myosin light chain kinase inhibitor compounds, compostions and related methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 US disclosed
US-20080021035-A1 Myosin light chain kinase inhibitor compounds, compostions and related methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 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 (6 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-20080021035-A1 Myosin light chain kinase inhibitor compounds, compostions and related methods of use MYLK, MYLK3, MYLK2 RAB9A 3811/4885NPC1 4879/4885USP2 1574/4885
US-11653564-B2 Compound and organic light-emitting device comprising same CRY1, CYP1A1, TMEM109 RAB9A 2906/4885NPC1 1165/4885USP2 3599/4885
US-20230183279-A1 ORGANOMETALLIC COMPLEX, LIGHT EMITTING DIODE, AND ELECTRONIC DEVICE NR2E3, CRY1, GRK1 RAB9A 2685/4885NPC1 4328/4885USP2 2914/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 RAB9A 3503/4885NPC1 339/4885USP2 1899/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 RAB9A 480/4885NPC1 2546/4885USP2 14/4885
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 RAB9A 3769/4885NPC1 2807/4885USP2 2838/4885

“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.