SCHEMBL102128

SCHEMBL102128

CC(C)(C)c1cc(C(F)(F)F)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
KLF10 Q13118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
POLQ O75417 6/20 0.42
KIF11 P52732 1/20 0.41
PDE2A O00408 3/20 0.40
IDO1 P14902 1/20 0.39
DAO P14920 1/20 0.38
AR P10275 2/20 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
SCHEMBL10183562 0.91 KLF10 (0.46) CES2KLF10CYP3A4CYP2D6POLQ
SCHEMBL1993639 0.86 CES2 (0.52) CES2CYP3A4CYP2D6POLQIDO1
SCHEMBL1447610 0.86 KLF10 (0.47) KLF10CYP3A4CYP2D6KIF11
SCHEMBL14297621 0.85 KLF10 (0.43) CES2KLF10CYP2D6POLQKIF11
SCHEMBL20150065 0.83 KIF11 (0.40) CES2CYP3A4CYP2D6POLQKIF11
SCHEMBL19170782 0.81 KIF11 (0.47) CES2CYP3A4CYP2D6KIF11PDE2A
SCHEMBL5112247 0.80 DAO (0.46) CES2KLF10CYP3A4CYP2D6POLQ
SCHEMBL2000882 0.80 CES2 (0.50) CES2KLF10CYP3A4CYP2D6POLQ
SCHEMBL8220447 0.79 PDE2A (0.49) CES2CYP3A4CYP2D6POLQKIF11
SCHEMBL31085526 0.79 KLF10 (0.44) CES2KLF10CYP3A4CYP2D6KIF11

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 6 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
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2010-09-09 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 (4 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 CES2 4240/4885KLF10 3197/4885CYP3A4 1717/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 CES2 4267/4885KLF10 4362/4885CYP3A4 2362/4885
US-20100227861-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 CES2 4195/4885KLF10 3211/4885CYP3A4 1851/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 CES2 4399/4885KLF10 4316/4885CYP3A4 2024/4885

“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.