SCHEMBL11907261

SCHEMBL11907261

Nc1ccc(-c2ccc(CN3CCOCC3)cc2)nc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.59
HRH3 Q9Y5N1 2/20 0.52
ACVR1 Q04771 2/20 0.51
HDAC1 Q13547 1/20 0.48
KCNJ1 P48048 2/20 0.47
JAK2 O60674 2/20 0.47
HTT P42858 1/20 0.47
AOC3 Q16853 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAP2K3 P46734 1/20 0.44

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
SCHEMBL11907130 0.86 PARP1 (0.51) PARP1JAK2HTTHPGDALDH1A1
SCHEMBL254490 0.74 HRH3 (0.72) HRH3HDAC1HTTHIF1AEPAS1
SCHEMBL16416563 0.74 PARP1 (1.00) PARP1HRH3HDAC1JAK2
SCHEMBL27646067 0.74 HRH3 (0.54) PARP1HRH3KCNJ1HTTAOC3
SCHEMBL3721164 0.74 PARP1 (0.47) PARP1HRH3JAK2
SCHEMBL145531 0.73 ALDH1A1 (0.54) HRH3KCNJ1HTTAOC3HIF1A
SCHEMBL11908303 0.72 MAP2K3 (0.73) PARP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL426993 0.72 HPGD (0.66) HRH3HTTHIF1AEPAS1HPGD
SCHEMBL11908374 0.72 MAP2K3 (0.77) PARP1ALDH1A1MAPTSMN1; SMN2MAP2K3
SCHEMBL16054714 0.72 HRH3 (0.72) HRH3HDAC1KCNJ1JAK2ALDH1A1

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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PARP1 949/4885HRH3 4473/4885ACVR1 2513/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 PARP1 949/4885HRH3 4473/4885ACVR1 2513/4885

“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.