SCHEMBL3451095

SCHEMBL3451095

O=C(O)c1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ BTK Q06187 3/20 0.48
▸ PAK1 Q13153 1/20 0.46
▸ AURKA O14965 2/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ PKMYT1 Q99640 1/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PIK3CA P42336 1/20 0.43

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
SCHEMBL3450200 0.91 SMN1; SMN2 (0.44) MEN1KMT2ABTKAURKAMAPK9
SCHEMBL3449885 0.88 TDO2 (0.46) BTKAURKAMAPK9MAPK10PKMYT1
SCHEMBL13348486 0.88 CSNK2A1 (0.45) MEN1KMT2ABTKAURKAMAPK9
SCHEMBL3451632 0.87 TDO2 (0.47) BTKAURKAMAPK9MAPK10PKMYT1
SCHEMBL3447480 0.86 PIM2 (0.48) BTKAURKAMAPK9MAPK10PKMYT1
SCHEMBL3447477 0.86 PIM2 (0.48) BTKAURKAMAPK9MAPK10PKMYT1
SCHEMBL3449110 0.86 SYK (0.51) BTKMAPK9MAPK10PKMYT1SMN1; SMN2
SCHEMBL3451209 0.86 MAPK9 (0.40) MEN1KMT2ABTKAURKAMAPK9
SCHEMBL3449456 0.85 NPC1 (0.47) BTKAURKAMAPK9MAPK10PKMYT1
SCHEMBL3451718 0.85 BTK (0.51) MEN1KMT2ABTKMAPK9MAPK10

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 MEN1 859/4885KMT2A 4408/4885BTK 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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