SCHEMBL5863101

SCHEMBL5863101

CCCC(=N)Nn1cccc1C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 4/20 0.36
CDC25B P30305 2/20 0.36
CDC25A P30304 1/20 0.36

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
SCHEMBL12395228 0.83 F10 (0.40) TSHRF2SMN1; SMN2MAPK1MAPT
SCHEMBL15908738 0.78 TSHR (0.46) TSHRSMN1; SMN2MAPK1MAPTCA12
SCHEMBL9920358 0.76 TSHR (0.38) TSHRSMN1; SMN2MAPK1CA12CA1
SCHEMBL28905637 0.74 TSHR (0.40) TSHRSMN1; SMN2MAPK1CA12CA1
SCHEMBL519964 0.71 SMN1; SMN2 (0.50) SMN1; SMN2MAPTRAB9AALDH1A1LMNA
SCHEMBL2399420 0.70 NPC1 (0.57) TSHRSMN1; SMN2MAPK1MAPTCA12
SCHEMBL29225365 0.69 TSHR (0.46) TSHRSMN1; SMN2MAPTCA12CA1
SCHEMBL30601236 0.68 MAPT (0.48) SMN1; SMN2MAPK1MAPTTP53RAB9A
SCHEMBL31077570 0.68 MAPT (0.38) TSHRSMN1; SMN2MAPK1MAPTCA12
SCHEMBL23069579 0.68 TSHR (0.48) TSHRSMN1; SMN2MAPK1MAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
EP-1519729-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2005-04-06 EP disclosed
US-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US disclosed
WO-2003099286-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (1 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-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents CCNB1, NUMA1, CCNA1 TSHR 4587/4885F2 3408/4885PLAU 4467/4885

“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.