SCHEMBL5438232

SCHEMBL5438232

CNCc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
F2 P00734 5/20 0.74
SLC29A1 Q99808 1/20 0.62

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
SCHEMBL8353097 0.91 F10 (0.84) F10F2SLC29A1
SCHEMBL6781669 0.91 F10 (1.00) F10F2SLC29A1
SCHEMBL5447391 0.90 F10 (0.81) F10F2
SCHEMBL6785643 0.89 F10 (1.00) F10F2
SCHEMBL6494095 0.88 F10 (0.83) F10F2
SCHEMBL6792898 0.87 F10 (1.00) F10F2
SCHEMBL8354493 0.86 F10 (0.87) F10F2
SCHEMBL6782538 0.85 F10 (1.00) F10F2
SCHEMBL7088276 0.85 F10 (1.00) F10F2
SCHEMBL6493883 0.85 F10 (0.84) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706730-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US claimed
US-20030022916-A1 1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-ones as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-30 US claimed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US disclosed
US-7153960-B2 Synthesis of 4,5-dihydro-pyrazolo[3,4-c]pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones ZHOU JIACHENG 2005-11-03 US disclosed
US-6919451-B2 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-6750225-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMS COMPANY 2004-06-15 US disclosed
US-6706730-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones BRISTOL-MYERS SQUIBB COMPANY 2003-09-25 US disclosed
WO-2003049681-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO [3,4-C] PYRID-2-ONES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed
US-20030022916-A1 1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-ones as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-30 US disclosed
US-20020177713-A1 1,4,5,6-tetrahydropyrazolo-[3,4,-c]-pyridin-7-ones useful as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-28 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 (5 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-20070027186-A1 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRID-2-ONES F2, TFPI, TFPI2 F10 26/4885F2 1/4885SLC29A1 4125/4885
US-20020177713-A1 1,4,5,6-tetrahydropyrazolo-[3,4,-c]-pyridin-7-ones useful as factor Xa inhibitors SERPINC1, SERPINE1, F11 F10 31/4885F2 8/4885SLC29A1 3538/4885
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones TFPI, TFPI2, F2 F10 19/4885F2 3/4885SLC29A1 4423/4885
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones F2, TFPI, TFPI2 F10 26/4885F2 1/4885SLC29A1 4125/4885
US-20030022916-A1 1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-ones as factor Xa inhibitors SERPINC1, SERPINE1, F11 F10 34/4885F2 9/4885SLC29A1 2146/4885

“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.