SCHEMBL986215

SCHEMBL986215

Brc1ccc(N=C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.68
ESR1 P03372 6/20 0.68
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
PLAU P00749 1/20 0.50
NOS1 P29475 2/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 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
SCHEMBL15717660 0.86 ESR2 (0.71) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL21078370 0.84 ESR1 (0.50) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL4450591 0.84 ESR2 (0.74) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL12336908 0.81 ESR2 (0.78) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL6932651 0.80 ESR2 (0.57) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL15275550 0.80 ESR2 (0.83) ESR2ESR1MEN1KMT2ANPC1
SCHEMBL15137057 0.79 NOS1 (0.55) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL15143942 0.79 NOS1 (0.55) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL28859630 0.79 MEN1 (0.73) ESR2ESR1SLC22A2SLC22A1SLC22A3
SCHEMBL15137058 0.79 NOS1 (0.55) ESR2ESR1SLC22A2SLC22A1SLC22A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777127-A Chiral tetrahydro-beta-carboline derivative and preparation method and application thereof 中山大学 2024-03-29 CN disclosed
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2017-10-26 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
US-9738663-B2 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters EUTICALS S.P.A. (IT) 2017-08-22 US disclosed
EP-2994473-B1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS EUTICALS SPA (IT) 2016-12-21 EP disclosed
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AMRI ITALY S.R.L. (IT) 2016-03-17 US disclosed
EP-1988095-B1 Method for manufacturing aminoaryl or heteroaryl boronic acid and their derivatives EUTICALS GMBH (DE) 2016-01-27 EP disclosed
EP-2801577-A1 Process for the preparation of aminoaryl- and aminoheteroaryl boronic acids and esters Euticals S.P.A. (IT) 2014-11-12 EP disclosed
US-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-09-04 US disclosed
WO-2008103310-A1 SUBSTITUTED FUSED-RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
WO-2008103310-A1 SUBSTITUTED FUSED-RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
US-20060243951-A1 Electrochromic copolymer ENERGY, U.S. DEPARTMENT OF 2006-11-02 US disclosed
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 US disclosed
US-6235871-B1 Synthesis of oligoarylamines, and uses and reagents related thereto MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-22 US disclosed
WO-1999028290-A1 SYNTHESIS OF OLIGOARYLAMINES, AND USES AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-06-10 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 (4 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-20140248299-A1 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES CCR10, CXCL10, CXCR3 ESR2 2384/4885ESR1 1431/4885SLC22A2 2037/4885
US-20170305937-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR2 1338/4885ESR1 1272/4885SLC22A2 1730/4885
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 ESR2 4013/4885ESR1 3400/4885SLC22A2 1413/4885
US-20160075723-A1 PROCESS FOR THE PREPARATION OF AMINOARYL- AND AMINOHETEROARYL BORONIC ACIDS AND ESTERS AADAT, BCAT2, BCAT1 ESR2 2049/4885ESR1 1900/4885SLC22A2 2521/4885

“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.