SCHEMBL3451209

SCHEMBL3451209

O=C(O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ MTOR P42345 3/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL3449500 0.92 NPC1 (0.44) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3449885 0.87 TDO2 (0.46) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL13348486 0.87 CSNK2A1 (0.45) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3450200 0.86 SMN1; SMN2 (0.44) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3451095 0.86 MEN1 (0.49) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL13311407 0.83 RAC1 (0.44) SMN1; SMN2NPC1RAB9AMAPK1JAK2
SCHEMBL3350710 0.81 BTK (0.43) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3451632 0.81 TDO2 (0.47) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3451664 0.80 MAPK1 (0.46) MAPK9MAPK10SMN1; SMN2NPC1RAB9A
SCHEMBL3447594 0.79 JAK2 (0.45) MAPK9MAPK10SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — 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 (1 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD MAPK9 3067/4885MAPK10 2465/4885SMN1; SMN2 3328/4885

“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.

Send feedback