SCHEMBL1600124

SCHEMBL1600124

COC(=O)CNc1nc2cc(Br)ccc2n2c(-c3ccccc3)nnc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PDE2A O00408 4/20 0.49
BRD4 O60885 9/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
MAOA P21397 3/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL12729942 0.90 PDE2A (0.48) ALDH1A1PDE2ABRD4MAOAMAOB
SCHEMBL12672081 0.84 PDE2A (0.47) PDE2AMAOAMEN1KMT2A
SCHEMBL1599384 0.73 TYMS (0.71) ALDH1A1PDE2ANPC1RAB9AMAOA
SCHEMBL21642450 0.71 BRD4 (0.71) BRD4
SCHEMBL21642605 0.69 BRD4 (0.66) BRD4
SCHEMBL14431653 0.68 IKBKB (0.81)
SCHEMBL21642226 0.67 BRD4 (0.78) BRD4
SCHEMBL20440364 0.67 BRD4 (0.78) BRD4
SCHEMBL20440365 0.67 BRD4 (0.66) BRD4
SCHEMBL4309941 0.66 KDM4E (0.39) ALDH1A1NPC1GAARAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B ALDH1A1 802/4885PDE2A 811/4885BRD4 2095/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B ALDH1A1 802/4885PDE2A 811/4885BRD4 2095/4885

“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.