SCHEMBL12051553

SCHEMBL12051553

Nc1nc2cc(-c3cccnc3)ccc2n1-c1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.49
▸ PIK3CD O00329 1/20 0.45
▸ PIP5K1C O60331 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ PI4KA P42356 1/20 0.45
▸ PI4KB Q9UBF8 1/20 0.45
▸ MKNK1 Q9BUB5 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PSIP1 O75475 1/20 0.44
▸ AXL P30530 1/20 0.44
▸ CYP11B1 P15538 7/20 0.43
▸ CYP11B2 P19099 7/20 0.43
▸ CYP19A1 P11511 4/20 0.43
▸ CYP17A1 P05093 2/20 0.43
▸ QPCT Q16769 1/20 0.41
▸ QPCTL Q9NXS2 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL12051554 0.86 ALOX5AP (0.47) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL12051686 0.81 ALOX5AP (0.43) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL1975842 0.81 ALOX5AP (0.43) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL34467103 0.80 ALOX5AP (0.52) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL25681517 0.80 ALOX5AP (0.52) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL12590009 0.74 QPCT (0.47) ALOX5APPIK3CAMKNK1MKNK2MEN1
SCHEMBL16062357 0.72 PIK3CD (0.46) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL14097461 0.72 HTR1D (0.57) ALOX5APPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL23467163 0.70 CYP11B1 (0.66) PIK3CAMEN1CYP11B1CYP11B2CYP19A1
SCHEMBL31522663 0.68 CYP11B2 (0.57) PIK3CDPIP5K1CPIK3CAPI4KAPI4KB

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-8076343-B2 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-13 — — US disclosed
US-8076343-B2 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-13 — — US disclosed
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 — — US disclosed
US-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-03 — — 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-20070099920-A1 Benzimidazoles useful as inhibitors of protein kinases PDK1, AURKC, PIM3 ALOX5AP 4428/4885PIK3CD 82/4885PIP5K1C 328/4885

“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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