SCHEMBL3449446

SCHEMBL3449446

O=C(O)C=Cc1cccc(-c2cnc(Nc3ccc(F)c(CO)c3)nc2N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ STAT6 P42226 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ MAP3K7 O43318 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ WEE1 P30291 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38

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
SCHEMBL3449439 1.00 PIM2 (0.47) PIM2LRRK2BTKSTAT6NPC1
SCHEMBL3447978 0.92 PIM2 (0.50) PIM2BTKSTAT6NPC1RAB9A
SCHEMBL3447975 0.92 PIM2 (0.50) PIM2BTKSTAT6NPC1RAB9A
SCHEMBL13311469 0.90 PIM2 (0.48) PIM2BTKSTAT6NPC1RAB9A
SCHEMBL13311434 0.90 PIM2 (0.48) PIM2BTKNPC1RAB9ASMN1; SMN2
SCHEMBL3447480 0.90 PIM2 (0.48) PIM2BTKNPC1RAB9ASMN1; SMN2
SCHEMBL3447477 0.90 PIM2 (0.48) PIM2BTKNPC1RAB9ASMN1; SMN2
SCHEMBL13311549 0.90 NPC1 (0.41) PIM2LRRK2BTKSTAT6NPC1
SCHEMBL13311437 0.89 PIM2 (0.51) PIM2BTKSTAT6NPC1RAB9A
SCHEMBL13311394 0.89 PIM2 (0.47) PIM2LRRK2BTKSTAT6NPC1

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 1 patent. 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

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 PIM2 3060/4885LRRK2 4031/4885BTK 1019/4885

“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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