SCHEMBL20155425

SCHEMBL20155425

Nc1ccc(Nc2ccc(F)cc2F)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.46
MAPK14 Q16539 2/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.37
KIF11 P52732 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL20155463 0.85 ALOX15 (0.45) MAPK14IDO1ALDH1A1GAAHTT
SCHEMBL20155604 0.83 NPC1 (0.43) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL20155614 0.83 IDO1 (0.40) SOS1MAPK14IDO1ALDH1A1GAA
SCHEMBL20155653 0.81 ALDH1A1 (0.41) IDO1ALDH1A1GAAKDM4ERAB9A
SCHEMBL20155591 0.80 SOS1 (0.44) SOS1MAPK14IDO1ALDH1A1CYP2C19
SCHEMBL20155147 0.79 SOS1 (0.43) SOS1MAPK14ALDH1A1CYP2C19CYP2D6
SCHEMBL1662774 0.79 MAPK14 (0.41) SOS1MAPK14ALDH1A1CYP2C19CYP2D6
SCHEMBL20155496 0.78 SOS1 (0.42) SOS1MAPK14IDO1ALDH1A1CYP2C19
SCHEMBL28924001 0.77 SOS1 (0.63) SOS1MAPK14ALDH1A1CYP2C19CYP2D6
SCHEMBL15638643 0.75 ALDH1A1 (0.47) SOS1IDO1ALDH1A1CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US disclosed
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 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 (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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 SOS1 1450/4885MAPK14 2886/4885IDO1 1727/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 SOS1 1282/4885MAPK14 1976/4885IDO1 1943/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB SOS1 2039/4885MAPK14 1959/4885IDO1 759/4885

“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.