SCHEMBL18310643

SCHEMBL18310643

Cc1nc(N)cc(C(F)(F)F)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
AR P10275 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CFTR P13569 1/20 0.33
GAA P10253 3/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
MPL P40238 1/20 0.32
PIK3CD O00329 1/20 0.32
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL26707264 0.85 BACE1 (0.42) BACE1KMT2AALDH1A1KDM4EAR
SCHEMBL18314661 0.79 BACE1 (0.50) BACE1KMT2AALDH1A1KDM4EAR
SCHEMBL18310652 0.77 NOS2 (0.34) BACE1KDM4ENOS3NOS1NOS2
SCHEMBL18310656 0.76 NOS2 (0.41) BACE1KDM4ENOS3NOS1NOS2
SCHEMBL26714236 0.76 BACE1 (0.38) BACE1KMT2AALDH1A1KDM4EAR
SCHEMBL18369638 0.76 BACE1 (0.47) BACE1KMT2AALDH1A1KDM4EAR
SCHEMBL21733973 0.75 NOS2 (0.40) BACE1KMT2AALDH1A1KDM4EHPGD
SCHEMBL22062895 0.74 BACE1 (0.42) BACE1KMT2AALDH1A1KDM4EAR
SCHEMBL26749311 0.74 BACE1 (0.36) BACE1HSP90AA1HSP90AB1NOS3NOS1
SCHEMBL18310640 0.73 NOS2 (0.34) KDM4ENOS3NOS1NOS2POLB

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
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 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-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 BACE1 547/4885KMT2A 1323/4885ALDH1A1 2650/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 BACE1 547/4885KMT2A 1323/4885ALDH1A1 2650/4885

“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.