SCHEMBL10319616

SCHEMBL10319616

O=C(c1ccc(OC(F)(F)F)cc1)N1[C@@H]2CC[C@@H]1CN(c1ncnc3[nH]ccc13)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.58
AKT2 P31751 5/20 0.56
BTK Q06187 5/20 0.49
JAK3 P52333 3/20 0.46
JAK2 O60674 3/20 0.46
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
MAPK7 Q13164 1/20 0.44
JAK1 P23458 1/20 0.43
GSK3B P49841 1/20 0.43
DOT1L Q8TEK3 1/20 0.43

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
SCHEMBL1050199 1.00 KIT (0.58) KITAKT2BTKJAK3JAK2
SCHEMBL10320291 0.89 BTK (0.56) KITAKT2BTKJAK3JAK2
SCHEMBL1046808 0.89 BTK (0.56) KITAKT2BTKJAK3JAK2
SCHEMBL12957998 0.87 JAK2 (0.56) KITAKT2BTKJAK3JAK2
SCHEMBL1049144 0.87 JAK2 (0.56) KITAKT2BTKJAK3JAK2
SCHEMBL10316833 0.87 JAK2 (0.56) KITAKT2BTKJAK3JAK2
SCHEMBL12958805 0.87 KIT (0.48) KITAKT2JAK3JAK2JAK1
SCHEMBL10321504 0.85 KIT (0.53) KITAKT2JAK3JAK2JAK1
SCHEMBL1049106 0.85 KIT (0.53) KITAKT2JAK3JAK2JAK1
SCHEMBL10317041 0.84 KIT (0.65) KITAKT2BTKJAK3JAK2

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-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-9346809-B2 Heterocyclic compounds as JAK receptor and protein tyrosine kinase inhibitors LEO PHARMA A/S (DK) 2016-05-24 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 US disclosed
US-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS LEO PHARMA A/S (DK) 2012-07-12 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-20120178740-A1 HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS JAK1, JAK2, JAK3 KIT 327/4885AKT2 703/4885BTK 39/4885

“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.