SCHEMBL729366

SCHEMBL729366

COc1ccc2c(Nc3c(C)cncc3C)cc(=O)[nH]c2c1OCCCCCCn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TSHR P16473 2/20 0.43
MAPK1 P28482 4/20 0.42
LMNA P02545 3/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.40
PDE4B Q07343 6/20 0.40

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
SCHEMBL730891 1.00 MEN1 (0.45) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL731038 0.99 KMT2A (0.43) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL728928 0.97 MEN1 (0.43) MEN1KMT2AMAPK1LMNAALOX15
SCHEMBL728643 0.88 PDE4B (0.49) MEN1KMT2AMAPK1LMNAALDH1A1
SCHEMBL723600 0.85 PDE4B (0.47) MAPK1CYP19A1PDE4B
SCHEMBL731264 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1CYP19A1PDE4B
SCHEMBL726599 0.85 PDE4B (0.46) MAPK1CYP19A1PDE4B
SCHEMBL728717 0.85 PDE4B (0.46) MAPK1CYP19A1PDE4B
SCHEMBL728597 0.85 PDE4B (0.42) MEN1KMT2AALDH1A1CYP19A1PDE4B
SCHEMBL728881 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1CYP19A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2467376-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Kalypsys, Inc. (US) 2012-06-27 EP claimed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US claimed
WO-2011093924-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC (US) 2011-08-04 WO claimed
US-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2013-02-21 US disclosed
US-8138205-B2 Heteroarylalkoxy-substituted quinolone inhibitors of PDE4 KALYPSYS, INC. (US) 2012-03-20 US disclosed
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2010-04-01 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 (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-20130045975-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MEN1 4354/4885KMT2A 3640/4885TSHR 3957/4885
US-20100081646-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C MEN1 4354/4885KMT2A 3640/4885TSHR 3957/4885

“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.