SCHEMBL5441070

SCHEMBL5441070

O=C1C(N2CCCC2)=CCCN1c1ccc(I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ POLB P06746 2/20 0.33

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
SCHEMBL5447292 0.98 MEN1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1919863 0.87 AKR1C3 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8357983 0.84 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8360878 0.83 DRD2 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL20050092 0.81 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15875403 0.76 FAAH (0.36) FAAHMGLLABL1AKR1C3SRC
SCHEMBL15490605 0.76 FAAH (0.36) NPC1RAB9AFAAHMGLLABL1
SCHEMBL5444324 0.74 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1KDM4EAKR1C3
SCHEMBL17205684 0.74 HPGD (0.48) MEN1KMT2AALDH1A1L3MBTL1USP2
SCHEMBL15883177 0.73 FAAH (0.34) FAAHMGLLABL1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1467984-A4 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES BRISTOL MYERS SQUIBB CO (US) 2005-12-07 — — EP 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
EP-1467984-A2 SYNTHESIS OF 4,5-DIHYDRO-PYRAZOLO (3,4-C) PYRID-2-ONES Bristol-Myers Squibb Company (US) 2004-10-20 — — EP 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
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

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

For each of this compound's patents that has machine-readable text (3 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 MEN1 2495/4885KMT2A 2398/4885NPC1 4611/4885
US-20030181466-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones TFPI, TFPI2, F2 MEN1 3448/4885KMT2A 2344/4885NPC1 4337/4885
US-20050245566-A1 Synthesis of 4,5-dihydro-pyrazolo [3,4-c] pyrid-2-ones F2, TFPI, TFPI2 MEN1 2495/4885KMT2A 2398/4885NPC1 4611/4885

“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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