SCHEMBL102182

SCHEMBL102182

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
RUNX1 Q01196 1/20 0.40
GPR3 P46089 2/20 0.40
KIF11 P52732 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.35
PPM1A P35813 1/20 0.35
P2RY1 P47900 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 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
SCHEMBL3872156 0.82 FFAR4 (0.45) FFAR4EPHX2RUNX1GPR3KIF11
SCHEMBL12135071 0.81 FFAR4 (0.42) FFAR4RUNX1GPR3KIF11FFAR1
SCHEMBL25589644 0.80 GPR3 (0.43) FFAR4GPR3KIF11TRPV1LMNA
SCHEMBL14850388 0.80 S1PR1 (0.40) GPR3CNR2MAPT
SCHEMBL16959631 0.79 FFAR4 (0.44) FFAR4EPHX2RUNX1GPR3KIF11
SCHEMBL178278 0.79 FFAR4 (0.44) FFAR4EPHX2NR1H4RUNX1GPR3
SCHEMBL15540042 0.79 FFAR4 (0.43) FFAR4RUNX1GPR3KIF11TRPV1
SCHEMBL28709560 0.79 FFAR4 (0.43) FFAR4EPHX2RUNX1GPR3KIF11
SCHEMBL30484251 0.79 FFAR4 (0.43) FFAR4RUNX1GPR3KIF11TRPV1
SCHEMBL102305 0.79 ALDH1A1 (0.56) NR1H4LMNAMAPT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 FFAR4 3011/4885EPHX2 2941/4885NR1H4 4656/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 FFAR4 2698/4885EPHX2 3874/4885NR1H4 4343/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 FFAR4 2349/4885EPHX2 3652/4885NR1H4 4084/4885

“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.