SCHEMBL18700540

SCHEMBL18700540

CC1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.44
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HTT P42858 5/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
CTSB P07858 1/20 0.31
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL2832661 1.00 PIM1 (0.44) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL1711410 1.00 PIM1 (0.44) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL2832662 1.00 PIM1 (0.44) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL13458553 0.85 MEN1 (0.37) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL20633460 0.85 MEN1 (0.37) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL1711754 0.82 MEN1 (0.35) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL1711751 0.82 MEN1 (0.35) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL1711755 0.82 MEN1 (0.35) PIM1PIM3PIM2KMT2AMEN1
SCHEMBL9607187 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL16587797 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTMAPT

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-9920032-B2 Heterocyclic compounds useful as pim kinase inhibitors INCYTE CORPORATION (US) 2018-03-20 US disclosed
US-20170096411-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-04-06 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-20170096411-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM3 3/4885PIM2 2/4885

“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.