SCHEMBL479144

SCHEMBL479144

Nc1noc2c[c]ccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.35
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL1197420 0.84 IDO1 (0.35) IDO1KITKDRFLT3GSK3B
SCHEMBL16571754 0.77
SCHEMBL15091080 0.76 CHRNB2 (0.36)
SCHEMBL1230717 0.72 MLYCD (0.35)
SCHEMBL733028 0.71 ESR1 (0.40)
SCHEMBL52685 0.70 CA12 (0.48) IDO1KITKDRFLT3GSK3B
SCHEMBL29518984 0.70 CA12 (0.48) IDO1KITKDRFLT3GSK3B
SCHEMBL1461411 0.66 KDM4E (0.33)
SCHEMBL2565476 0.65 IDO1 (0.37) IDO1GSK3B
SCHEMBL30536133 0.64 ESR1 (0.40) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 US claimed
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP claimed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US claimed
US-20060069270-A1 Process for the preparation of 1,3,5-trisubstituted pyrazoles via [3+2] cycloaddition BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US claimed
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones ZHOU JIACHENG 2005-11-03 US claimed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US claimed
US-6919451-B2 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US claimed
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US claimed
US-6465656-B2 ACYLATING/ACETYLATING ARYLHYDRAZINE, REACTING HYDROZONOYL HALIDE/SULFATE WITH AMINE BASE TO FORM 1-(3-CYANO)PHENYL-2-(TRIFLUOROACETYL)HYDRAZINE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-15 US claimed
EP-1222172-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE Bristol-Myers Squibb Pharma Company (US) 2002-07-17 EP claimed
US-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 US claimed
US-6329527-B1 ACYLATING SUBSTITUTEDARYL HYDRAZINE, FORMING DIPOLAR COMPOUND, CONTACTING DIPOLAROPHILE AND SUBJECTING TO OXIDATION, REMOVING PROTECTING GROUP BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-11 US claimed
WO-2001029006-A1 SYNTHESIS OF 1,3,5-TRISUBSTITUTED PYRAZOLES AND INTERMEDIATES THEREFORE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 IDO1 865/4885KIT 588/4885KDR 896/4885
US-20020055641-A1 Synthesis of 1,3,5-trisubstituted pyrazoles TFPI, SERPINC1, F11 IDO1 1202/4885KIT 2920/4885KDR 3036/4885
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones TFPI, TFPI2, F2 IDO1 703/4885KIT 971/4885KDR 1538/4885
US-20230064443-A1 5-oxo-1,2,3,5,8,8a-hexahydroindolizine-3-carboxamide Derivatives Useful As a Factor XIa Inhibitors F11, F12, F13A1 IDO1 364/4885KIT 531/4885KDR 1883/4885
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones F2, TFPI, TFPI2 IDO1 722/4885KIT 1885/4885KDR 1334/4885
US-20060069270-A1 Process for the preparation of 1,3,5-trisubstituted pyrazoles via [3+2] cycloaddition TFPI, F2, F11 IDO1 871/4885KIT 1275/4885KDR 2682/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 IDO1 865/4885KIT 588/4885KDR 896/4885

“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.