SCHEMBL3101556

SCHEMBL3101556

Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 1/20 0.55
▸ L3MBTL3 Q96JM7 1/20 0.54
▸ GRM5 P41594 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CA12 O43570 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA7 P43166 2/20 0.51

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
SCHEMBL4748653 0.86 KCNK3 (0.69) RAB9ANPC1KMT2AL3MBTL1TP53
SCHEMBL29502995 0.84 KMT2A (0.69) RAB9ANPC1SMN1; SMN2KMT2ACACNA1B
SCHEMBL3241551 0.84 KMT2A (0.69) RAB9ANPC1SMN1; SMN2KMT2ACACNA1B
SCHEMBL19070454 0.84 MAPT (0.59) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL12192807 0.83 KCNK3 (0.64) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL12065272 0.82 KMT2A (0.52) RAB9ANPC1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL5897054 0.81 MAPK14 (0.65) RAB9ASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL27750723 0.81 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL20476334 0.81 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL17664561 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2CASP3SENP8

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-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 — — US disclosed
EP-2035386-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2009-03-18 — — EP disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 — — US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 — — 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 (2 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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B RAB9A 413/4885NPC1 1257/4885SMN1; SMN2 1472/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B RAB9A 413/4885NPC1 1331/4885SMN1; SMN2 2485/4885

“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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