SCHEMBL3350959

SCHEMBL3350959

O=C(O)c1cnc(Nc2ccc(F)c(Cl)c2)nc1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SYK P43405 3/20 0.52
▸ MAPK9 P45984 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ STAT6 P42226 5/20 0.49
▸ TDO2 P48775 1/20 0.48
▸ JAK2 O60674 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ PKMYT1 Q99640 1/20 0.46

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
SCHEMBL3451420 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TSHRSYKMAPK9MAPK10
SCHEMBL3343943 0.84 MAPK9 (0.54) SYKMAPK9MAPK10NPC1RAB9A
SCHEMBL3451632 0.84 TDO2 (0.47) SMN1; SMN2TSHRSYKMAPK9MAPK10
SCHEMBL3450200 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TSHRSYKMAPK9MAPK10
SCHEMBL3344180 0.83 NPC1 (0.53) SMN1; SMN2SYKMAPK9MAPK10NPC1
SCHEMBL13311507 0.83 JAK2 (0.57) SMN1; SMN2SYKNPC1RAB9ATDO2
SCHEMBL3451095 0.83 MEN1 (0.49) SMN1; SMN2TSHRMAPK9MAPK10NPC1
SCHEMBL3450545 0.83 MAPK9 (0.45) SMN1; SMN2TSHRSYKMAPK9MAPK10
SCHEMBL3451664 0.82 MAPK1 (0.46) SMN1; SMN2TSHRSYKMAPK9MAPK10
SCHEMBL3449885 0.81 TDO2 (0.46) SMN1; SMN2TSHRSYKMAPK9MAPK10

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 5 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
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 SMN1; SMN2 3328/4885TSHR 4310/4885SYK 804/4885

“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