SCHEMBL6028864

SCHEMBL6028864

NC(=O)c1cccc2cc(-c3ccc(N4CCCNCC4)cc3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
ATR Q13535 1/20 0.43
PARP1 P09874 3/20 0.43
ACVR1 Q04771 6/20 0.42
JAK2 O60674 1/20 0.41
TGFBR1 P36897 1/20 0.41
HDAC11 Q96DB2 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 1/20 0.40
KHK P50053 1/20 0.40
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
ACVR1B P36896 1/20 0.40
ACVRL1 P37023 1/20 0.40

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
SCHEMBL6029754 0.96 DHODH (0.50) DHODHPARP1ACVR1JAK2TGFBR1
SCHEMBL6029661 0.84 PARP1 (0.46) DHODHPARP1JAK2PIM1PIM3
SCHEMBL5074236 0.83 CHRNB2 (0.43) CHRNB2CHRNA4ATRPARP1ACVR1
SCHEMBL6029470 0.81 DHODH (0.46) DHODHPARP1ACVR1TGFBR1HDAC11
SCHEMBL6029678 0.81 AURKA (0.50) DHODHPARP1JAK2HDAC11
SCHEMBL3582373 0.80 PARP1 (0.49) CHRNB2CHRNA4ATRPARP1ACVR1
SCHEMBL6028570 0.79 JAK2 (0.49) DHODHPARP1JAK2
SCHEMBL6028789 0.79 AURKA (0.55) DHODHPARP1
SCHEMBL6028897 0.79 AURKA (0.60) DHODHPARP1
SCHEMBL6028613 0.78 JAK2 (0.51) DHODHPARP1JAK2HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 DHODH 674/4885CHRNB2 4171/4885CHRNA4 4174/4885

“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.