SCHEMBL92606

SCHEMBL92606

Cc1ccc2c(c1)c(C(=O)Nc1cc(F)c(C)cc1Cl)nn2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
THRB P10828 1/20 0.41
RIPK1 Q13546 1/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LCK P06239 1/20 0.37
CSK P41240 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL92553 0.91 LMNA (0.44) LMNARIPK1MAPTSMN1; SMN2TP53
SCHEMBL10273060 0.91 LMNA (0.42) LMNATHRBRIPK1MAPTSMN1; SMN2
SCHEMBL92610 0.90 LMNA (0.43) LMNATHRBMAPTSMN1; SMN2MEN1
SCHEMBL10273949 0.88 KDM4E (0.50) LMNARIPK1MAPTALDH1A1KDM4E
SCHEMBL92542 0.85 LMNA (0.44) LMNARIPK1MAPTSMN1; SMN2TP53
SCHEMBL10273059 0.81 LMNA (0.43) LMNATHRBMAPTSMN1; SMN2MEN1
SCHEMBL93047 0.80 RAB9A (0.43) LMNAMAPTSMN1; SMN2POLBTDP1
SCHEMBL92552 0.77 KDM4E (0.53) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL91588 0.77 KDM4E (0.53) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10273937 0.77 THRB (0.56) LMNATHRBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 LMNA 1466/4885THRB 940/4885RIPK1 4123/4885

“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.