SCHEMBL415781

SCHEMBL415781

COC(=O)CCc1nn(Cc2ccc(OC)cc2)c2ccnc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTGER4 P35408 1/20 0.39
CCR4 P51679 1/20 0.38
JAK2 O60674 1/20 0.38
CSF1R P07333 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
F2RL1 P55085 1/20 0.37
DYRK1A Q13627 1/20 0.37
NR3C1 P04150 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NR3C2 P08235 1/20 0.36
BUB1 O43683 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL444498 0.91 LMNA (0.45) CNR1CNR2PTGER4USP2LMNA
SCHEMBL19730107 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CNR1CNR2PTGER4
SCHEMBL31500890 0.88 CYP11B1 (0.45) CYP11B1CYP11B2CNR1CNR2PTGER4
SCHEMBL3777337 0.81 JAK2 (0.49) CYP11B1CYP11B2JAK2POLBSMN1; SMN2
SCHEMBL883468 0.81 JAK2 (0.48) CYP11B1CYP11B2JAK2KDM4E
SCHEMBL19730012 0.80 LMNA (0.43) CYP11B1CYP11B2CNR1CNR2PTGER4
SCHEMBL381505 0.77 CNR1 (0.46) CNR1CNR2CCR4KDM4ENR3C1
SCHEMBL381249 0.77 ALDH1A1 (0.49) KDM4EPOLBLMNA
SCHEMBL381248 0.77 ALDH1A1 (0.49) KDM4EPOLBLMNA
SCHEMBL3775383 0.76 CCR4 (0.39) CNR1CNR2PTGER4CCR4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B1 306/4885CYP11B2 322/4885CNR1 2/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 CYP11B1 305/4885CYP11B2 317/4885CNR1 2/4885

“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.