SCHEMBL3450635

SCHEMBL3450635

O=C(O)c1cc2cc(-c3cnc(Nc4ccc(F)c(Cl)c4)nc3N3CCOCC3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.41
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ MTOR P42345 2/20 0.40
▸ TDO2 P48775 2/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL3450398 0.94 PIK3CA (0.41) SYKPIK3CAPIK3CDCYP3A4AKT1
SCHEMBL3448696 0.89 MMP13 (0.46) SYKPIK3CAPIK3CDCYP3A4AKT1
SCHEMBL3451598 0.85 NPC1 (0.45) SYKPIK3CAPIK3CDCYP3A4AKT1
SCHEMBL3451632 0.84 TDO2 (0.47) SYKPIK3CAMAPK9MAPK10SMN1; SMN2
SCHEMBL3451095 0.83 MEN1 (0.49) PIK3CAMAPK9MAPK10SMN1; SMN2NPC1
SCHEMBL3451601 0.83 BTK (0.42) SYKPIK3CAPIK3CDPIK3CBMAPK9
SCHEMBL3450200 0.82 SMN1; SMN2 (0.44) SYKPIK3CAMAPK9MAPK10SMN1; SMN2
SCHEMBL3449885 0.82 TDO2 (0.46) SYKPIK3CAMAPK9MAPK10SMN1; SMN2
SCHEMBL13348486 0.81 CSNK2A1 (0.45) SYKPIK3CAPIK3CDCYP3A4AKT1
SCHEMBL3451664 0.81 MAPK1 (0.46) SYKPIK3CAMAPK9MAPK10SMN1; SMN2

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 3 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

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 SYK 804/4885PIK3CA 2483/4885PIK3CD 2522/4885

“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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