SCHEMBL5137646

SCHEMBL5137646

Nc1ccc(Oc2ccccc2)c(COC2CCCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
DHFR P00374 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH1 P35367 1/20 0.36
RIPK1 Q13546 1/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
SLC6A4 P31645 3/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EP300 Q09472 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
QRFPR Q96P65 1/20 0.33
SLC6A2 P23975 1/20 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
SCHEMBL5083034 0.81 SMN1; SMN2 (0.42) ICAM1SELEKDM4CMEN1KMT2A
SCHEMBL507583 0.75 KDM4C (0.41) ICAM1SELEKDM4CDHFRMEN1
SCHEMBL23051401 0.74 HRH1 (0.47) MEN1KMT2AHRH1RIPK1BRD4
SCHEMBL13242378 0.73 ALDH1A1 (0.43) SMN1; SMN2
SCHEMBL23662562 0.72 DHFR (0.43) ICAM1SELEKDM4CDHFRMEN1
SCHEMBL13787407 0.72 KDM4C (0.43) ICAM1SELEKDM4CMEN1KMT2A
SCHEMBL2830733 0.71 ICAM1 (0.44) ICAM1SELEKDM4CDHFRMEN1
SCHEMBL4184332 0.71 KDM4C (0.47) ICAM1SELEKDM4CMEN1KMT2A
SCHEMBL15508907 0.71 MEN1 (0.42) KDM4CDHFRMEN1KMT2ACREBBP
SCHEMBL30664608 0.70 MAPT (0.43) KDM4CMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664051-A4 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-12-31 EP disclosed
EP-1664051-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
US-7030112-B2 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
WO-2005030144-A2 PYRROLOPYRIDAZINE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-07 WO disclosed
US-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 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 (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-20040209886-A1 Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders PCNA, DPYD, MALT1 ICAM1 3453/4885SELE 2636/4885KDM4C 2446/4885

“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.