SCHEMBL6029754

SCHEMBL6029754

NC(=O)c1cccc2cc(-c3ccc(N4CCNCC4)cc3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
ACVR1 Q04771 6/20 0.44
JAK2 O60674 1/20 0.44
PARP1 P09874 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
TGFBR1 P36897 1/20 0.43
PIM1 P11309 3/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 1/20 0.42
KHK P50053 1/20 0.42
BMPR1B O00238 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVR1B P36896 1/20 0.42
ACVRL1 P37023 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 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
SCHEMBL6028864 0.96 DHODH (0.46) DHODHACVR1JAK2PARP1HDAC11
SCHEMBL6029470 0.84 DHODH (0.46) DHODHACVR1PARP1HDAC11TGFBR1
SCHEMBL6029678 0.84 AURKA (0.50) DHODHJAK2PARP1HDAC11
SCHEMBL6029661 0.84 PARP1 (0.46) DHODHJAK2PARP1PIM1PIM3
SCHEMBL6028789 0.83 AURKA (0.55) DHODHPARP1SIGMAR1
SCHEMBL6028613 0.82 JAK2 (0.51) DHODHJAK2PARP1HDAC11TSHR
SCHEMBL5077289 0.81 PIM1 (0.46) ACVR1JAK2PARP1HDAC11TGFBR1
SCHEMBL6029840 0.81 AURKA (0.64) DHODH
SCHEMBL28921624 0.79 PARP1 (0.58) DHODHPARP1HDAC11CDC7
SCHEMBL6029382 0.79 PARP1 (0.52) DHODHPARP1ALDH1A1

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 674/4885ACVR1 4043/4885JAK2 1891/4885

“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.