SCHEMBL13311510

SCHEMBL13311510

CCOC(=O)COc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.49
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ BTK Q06187 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ ITK Q08881 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ MET P08581 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ INSR P06213 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
SCHEMBL13311467 0.92 NPC1 (0.47) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL13311509 0.91 SYK (0.52) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL3449110 0.90 SYK (0.51) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL3449456 0.86 NPC1 (0.47) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL13310949 0.86 BTK (0.44) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL3449452 0.85 NPC1 (0.46) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL3448122 0.82 P2RY12 (0.46) NPC1RAB9ASMN1; SMN2JAK2EGFR
SCHEMBL3449798 0.82 NPC1 (0.49) SYKNPC1RAB9ASMN1; SMN2JAK3
SCHEMBL3451095 0.81 MEN1 (0.49) NPC1RAB9ASMN1; SMN2JAK3JAK2
SCHEMBL13312648 0.80 NPC1 (0.41) NPC1RAB9ASMN1; SMN2JAK2EGFR

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
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 SYK 804/4885NPC1 603/4885RAB9A 2449/4885

“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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