SCHEMBL22062895

SCHEMBL22062895

Cc1c(C(F)(F)F)cc(N)nc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
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 6/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MPL P40238 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MTOR P42345 2/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL18314661 0.79 BACE1 (0.50) BACE1HPGDHSD17B10HSP90AA1HSP90AB1
SCHEMBL22062891 0.76 NOS2 (0.38) BACE1NOS3NOS1NOS2POLB
SCHEMBL18310643 0.74 BACE1 (0.46) BACE1HPGDHSD17B10HSP90AA1HSP90AB1
SCHEMBL21733359 0.74 HSP90AA1 (0.35) BACE1HSP90AA1HSP90AB1NOS3NOS1
SCHEMBL29295852 0.73 NOS3 (0.34) NOS3NOS1NOS2POLB
SCHEMBL15429603 0.73 KDM4E (0.42) BACE1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL22063480 0.73 BACE1 (0.41) BACE1HPGDHSD17B10HSP90AA1HSP90AB1
SCHEMBL26707264 0.70 BACE1 (0.42) BACE1HPGDHSD17B10HSP90AA1HSP90AB1
SCHEMBL2478082 0.69 BACE1 (0.44) BACE1HPGDHSD17B10KDM4EALDH1A1
SCHEMBL2482824 0.69 BACE1 (0.44) BACE1HPGDHSD17B10CFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 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 (3 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS BACE1 2019/4885HPGD 2966/4885HSD17B10 3025/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS BACE1 2019/4885HPGD 2966/4885HSD17B10 3025/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS BACE1 2019/4885HPGD 2966/4885HSD17B10 3025/4885

“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.