SCHEMBL16216031

SCHEMBL16216031

CN(C)CC(=O)N1CCC(CC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.37
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
FAAH O00519 1/20 0.35

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
SCHEMBL14174887 0.82 GNAI3 (0.48) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL4578079 0.81 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL8430100 0.81 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL4578083 0.81 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL4403505 0.81 EPHX2 (0.47) ALDH1A1THRATHRBGNAI3GNAO1
SCHEMBL24170768 0.80 ITGB3 (0.38) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL12384399 0.80 CYP2D6 (0.47) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL15808629 0.80 KDM1A (0.45) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL14610967 0.79 ITGB3 (0.60) ITGB3ITGA2BALDH1A1MEN1LMNA
SCHEMBL15491224 0.77 ITGB3 (0.43) ITGB3ITGA2BALDH1A1MEN1LMNA

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-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 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 (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-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ITGB3 3546/4885ITGA2B 4320/4885ALDH1A1 3601/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ITGB3 2748/4885ITGA2B 3269/4885ALDH1A1 3433/4885

“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.