SCHEMBL3448696

SCHEMBL3448696

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.46
▸ MMP2 P08253 4/20 0.42
▸ MMP14 P50281 4/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MTOR P42345 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL3450635 0.89 SYK (0.41) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL3451598 0.87 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL13312648 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL3448122 0.84 P2RY12 (0.46) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL3450398 0.83 PIK3CA (0.41) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL13311467 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3449583 0.81 MTOR (0.41) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL13311510 0.80 SYK (0.49) NPC1RAB9ASMN1; SMN2AURKAAURKB
SCHEMBL3348458 0.79 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MTORAURKA
SCHEMBL13310949 0.79 BTK (0.44) NPC1RAB9ASMN1; SMN2AURKAAURKB

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 MMP13 2867/4885MMP2 1633/4885MMP14 1977/4885

“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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