SCHEMBL1043405

SCHEMBL1043405

COc1nccc2cc(-c3ccccc3)nc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 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
SCHEMBL12794736 0.79 MAPK1 (0.39) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL3358245 0.74 TDO2 (0.59) SQORMEN1KMT2AMAPTTSHR
SCHEMBL12794747 0.71 HSD17B10 (0.48) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL1043404 0.69 KDM4E (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1044328 0.69 HSD17B10 (0.41) MEN1KMT2AMAPTTSHRRAB9A
SCHEMBL1536512 0.68 NPC1 (0.57) MEN1KMT2AMAPTTSHRATM
SCHEMBL4766668 0.68 KDM4E (0.58) MEN1KMT2AMAPTTSHRATM
SCHEMBL8272283 0.67 SQOR (0.60) SQORMEN1KMT2AMAPTTSHR
SCHEMBL27518492 0.65 SQOR (0.53) SQORMEN1KMT2AMAPTTSHR
SCHEMBL7259697 0.65 TNF (0.47) MEN1KMT2AMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET SQOR 4358/4885MEN1 3818/4885KMT2A 1958/4885

“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.