SCHEMBL4854724

SCHEMBL4854724

CCc1nc(-c2c(I)ccnc2OC)n(O)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.35
▸ ACSS2 Q9NR19 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31
▸ BACE1 P56817 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PADI4 Q9UM07 1/20 0.30
▸ DHFR P00374 1/20 0.30
▸ HEXA P06865 1/20 0.30
▸ HEXB P07686 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL4853946 0.86 BACE1 (0.35) MAPTACSS2GAABACE1PADI4
SCHEMBL4853603 0.75 TDP1 (0.38) MAPTALDH1A1AKT1KMT2ACASP1
SCHEMBL4858979 0.65 SCN2A (0.53) —
SCHEMBL4861188 0.64 PIK3CA (0.33) MAPTPOLBMAPK1GAAL3MBTL1
SCHEMBL4857517 0.63 CBFB (0.34) —
SCHEMBL4853527 0.61 KMO (0.33) MAPTALDH1A1POLBHPGDMAPK1
SCHEMBL4782507 0.61 RAB9A (0.47) MAPTALDH1A1HPGDKMT2A
SCHEMBL16052311 0.61 DHODH (0.41) MAPTALDH1A1GAAKMT2A
SCHEMBL4863287 0.61 CDC7 (0.39) MAPTALDH1A1POLBHPGDMAPK1
SCHEMBL28635180 0.60 KMT2A (0.50) MAPTALDH1A1L3MBTL1KMT2ASQOR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
US-7470713-B2 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
WO-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 — — WO disclosed
US-20050187218-A1 Imidazole based kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 — — US disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — 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-20050187218-A1 Imidazole based kinase inhibitors MAP3K19, MAP3K1, ABL1 MAPT 2267/4885ACSS2 3861/4885ALDH1A1 2119/4885

“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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