SCHEMBL458891

SCHEMBL458891

O=Cc1cc2cccc(Cl)c2nc1-c1cnccn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
MCL1 Q07820 1/20 0.35
PIEZO1 Q92508 2/20 0.34
PIM2 Q9P1W9 1/20 0.34
ORAI1 Q96D31 1/20 0.34
P2RX7 Q99572 5/20 0.34
KDR P35968 1/20 0.34
CTSA P10619 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPY5R Q15761 1/20 0.33
PIK3R2 O00459 1/20 0.32

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
SCHEMBL458722 0.80 ERN1 (0.45) ORAI1NPC1RAB9AMEN1KMT2A
SCHEMBL15363597 0.78 PIK3CD (0.33) PIK3CD
SCHEMBL459559 0.78 CYP11B2 (0.34) PIK3CDPIM2
SCHEMBL457679 0.75 ERN1 (0.40) PIK3CDKDRNPC1RAB9AMEN1
SCHEMBL457871 0.75 DHODH (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4182889 0.75 ALDH1A1 (0.42) PIK3CDMEN1KMT2A
SCHEMBL29683769 0.74 ALDH1A1 (0.46) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL5116 0.74 ALDH1A1 (0.46) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL15363595 0.73 PIK3CD (0.46) PIK3CDMCL1PIEZO1P2RX7CTSA
SCHEMBL4178020 0.73 CCR1 (0.39) PIK3CDPIM2MEN1KMT2ASMN1; SMN2

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-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed
US-9029392-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2015-05-12 US disclosed
US-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-11-07 US disclosed
EP-2614061-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2013-07-17 EP disclosed
WO-2012032334-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 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-20130296338-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors MAP3K13, MAP4K3, MAP3K3 PIK3CD 339/4885MCL1 2050/4885PIEZO1 4430/4885

“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.