SCHEMBL3451664

SCHEMBL3451664

O=C(O)c1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)cs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ SYK P43405 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL3451632 0.86 TDO2 (0.47) SMN1; SMN2NPC1RAB9ATSHRMAPK9
SCHEMBL3450545 0.86 MAPK9 (0.45) SMN1; SMN2NPC1RAB9ATSHRCSNK2A1
SCHEMBL3451601 0.85 BTK (0.42) SMN1; SMN2NPC1RAB9ATSHRMAPK9
SCHEMBL3450200 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATSHRMAPK9
SCHEMBL3451095 0.84 MEN1 (0.49) SMN1; SMN2NPC1RAB9ATSHRMAPK9
SCHEMBL3348458 0.83 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPK9MAPK10
SCHEMBL3449885 0.83 TDO2 (0.46) MAPK1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3350959 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATSHRMAPK9
SCHEMBL13348486 0.82 CSNK2A1 (0.45) SMN1; SMN2NPC1RAB9ATSHRCSNK2A1
SCHEMBL13310863 0.81 NPC1 (0.49) MAPK1SMN1; SMN2NPC1RAB9AMAPK9

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-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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 — — 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 (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 MAPK1 2905/4885SMN1; SMN2 3328/4885NPC1 603/4885

“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.

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