SCHEMBL13348200

SCHEMBL13348200

COC(=O)c1cc2ccc(-c3cnc(Nc4ccc(F)c(Cl)c4)nc3N3CCOCC3)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ BTK Q06187 2/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ EGFR P00533 2/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ MTOR P42345 3/20 0.37
▸ SYK P43405 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ BCL6 P41182 1/20 0.37
▸ AXL P30530 2/20 0.37
▸ TYRO3 Q06418 1/20 0.36

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
SCHEMBL3449583 0.88 MTOR (0.41) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL13312645 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3374568 0.81 STK17A (0.43) JAK2EGFRSYKBCL6AXL
SCHEMBL3348458 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3450063 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3451598 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3459304 0.78 BTK (0.40) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL13312648 0.77 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3449190 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3350710 0.76 BTK (0.43) NPC1RAB9ASMN1; SMN2MAPK9MAPK10

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 NPC1 603/4885RAB9A 2449/4885SMN1; SMN2 3328/4885

“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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