SCHEMBL457022

SCHEMBL457022

Clc1cc(NC[C@H]2CCCO2)c2ncc(I)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
STAT1 P42224 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN5A Q14524 2/20 0.41
ERN1 O75460 3/20 0.41
TNK2 Q07912 6/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL456990 1.00 TNF (0.46) TNFALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL470155 1.00 TNF (0.46) TNFALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL456397 0.97 TNF (0.43) TNFALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10279248 0.86 SCN5A (0.42) TNFALDH1A1SMN1; SMN2KDM4ESCN5A
SCHEMBL455915 0.86 SCN5A (0.42) TNFALDH1A1SMN1; SMN2KDM4ESCN5A
SCHEMBL457647 0.83 ERN1 (0.43) ERN1
SCHEMBL17425377 0.75 ERN1 (0.47) TNFERN1
SCHEMBL457529 0.75 ERN1 (0.47) TNFERN1
SCHEMBL457528 0.75 ERN1 (0.47) TNFERN1
SCHEMBL457597 0.73 TTK (0.64)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 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-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B TNF 3030/4885ALDH1A1 3389/4885SMN1; SMN2 1237/4885

“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.