SCHEMBL18365960

SCHEMBL18365960

O=C(O)c1nnn2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PTGES O14684 1/20 0.41
PKM P14618 1/20 0.39
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIN1 Q13526 1/20 0.36
KCNMA1 Q12791 2/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 1/20 0.35
SRD5A2 P31213 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
GLA P06280 1/20 0.34
KMO O15229 1/20 0.34

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
SCHEMBL19641538 0.88 ALDH1A1 (0.38) POLBALDH1A1GAAPTGESCA2
SCHEMBL18372222 0.83 MEN1 (0.51) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL18366361 0.80 CACNA1B (0.47) ALDH1A1GAAHPGDKDM4EKMT2A
SCHEMBL22734243 0.78 POLB (0.40) POLBALDH1A1GAAHPGDKDM4E
SCHEMBL30809693 0.76 HTT (0.41) POLBALDH1A1GAAPTGESPKM
SCHEMBL25251710 0.73 POLB (0.39) POLBALDH1A1GAAPTGESPIN1
SCHEMBL18366055 0.73 RIPK1 (0.46) POLBALDH1A1GAAHPGDKDM4E
SCHEMBL24369209 0.73 ALDH1A1 (0.44) POLBALDH1A1PKMHPGDKDM4E
SCHEMBL21410421 0.72 EPHB3 (0.55) ALDH1A1GAAPTGESHPGDKDM4E
SCHEMBL18365959 0.72 PIN1 (0.44) POLBALDH1A1PIN1KMT2A

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 POLB 1182/4885ALDH1A1 1195/4885GAA 968/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 POLB 1182/4885ALDH1A1 1195/4885GAA 968/4885

“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.