SCHEMBL4398719

SCHEMBL4398719

Nc1cnccc1N1CCC[C@@H](F)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
PIM2 Q9P1W9 10/20 0.42
PIM3 Q86V86 9/20 0.42
PIM1 P11309 6/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
CDC42BPB Q9Y5S2 4/20 0.41
CDC42BPA Q5VT25 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
PBK Q96KB5 1/20 0.39
KEAP1 Q14145 1/20 0.37

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
SCHEMBL11906992 0.84 PIM2 (0.56) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL11908053 0.84 PIM2 (0.56) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL20189967 0.83 MAPT (0.54) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL6526399 0.82 ROCK2 (0.51) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL19943253 0.82 KDM4E (0.57) MAPTPIM2PIM3PIM1KDM4E
SCHEMBL6526402 0.82 ROCK2 (0.51) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL13354904 0.80 ROCK2 (0.50) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL14216365 0.80 ROCK2 (0.50) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL14216367 0.80 ROCK2 (0.50) MAPTPIM2PIM3PIM1ROCK2
SCHEMBL21013405 0.79 MAPT (0.45) MAPTPIM2PIM3PIM1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 MAPT 978/4885PIM2 2/4885PIM3 3/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAPT 978/4885PIM2 2/4885PIM3 3/4885

“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.