SCHEMBL2804196

SCHEMBL2804196

Cc1cccnc1N1CCC(N)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 1/20 0.46
AKT2 P31751 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
MALT1 Q9UDY8 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PIM1 P11309 1/20 0.43
KIT P10721 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL1350594 0.90 AKT1 (0.50) HSD11B1KMT2AMALT1HRH3PIM1
SCHEMBL1350596 0.90 AKT1 (0.50) HSD11B1KMT2AMALT1HRH3PIM1
SCHEMBL18239395 0.90 AKT1 (0.50) HSD11B1KMT2AMALT1HRH3PIM1
Hydrochloric Acid SCHEMBL18228382 0.89 AKT1 (0.49) HSD11B1KMT2AMALT1HRH3PIM1
SCHEMBL17206944 0.88 HSD11B1 (0.50) HSD11B1KMT2ATRPV1MALT1
SCHEMBL3552058 0.85 KMT2A (0.61) HSD11B1KMT2ATRPV1MALT1
SCHEMBL3436511 0.83 SMO (0.53) HSD11B1KMT2ATRPV1MALT1PIM1
SCHEMBL3436628 0.83 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL11962830 0.82 HSD11B1 (0.45) HSD11B1KMT2ATRPV1MALT1
SCHEMBL25888999 0.82 HSD11B1 (0.45) HSD11B1KMT2ATRPV1MALT1

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 HSD11B1 2113/4885KMT2A 805/4885AKT2 3691/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 HSD11B1 1868/4885KMT2A 1266/4885AKT2 3539/4885

“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.