SCHEMBL102305

SCHEMBL102305

CC(C)(C)c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 2/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
MIF P14174 1/20 0.52
TYR P14679 1/20 0.52
HTT P42858 1/20 0.52
NFE2L2 Q16236 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ESRRA P11474 3/20 0.51
NR1H4 Q96RI1 7/20 0.51
GAA P10253 2/20 0.50
ATM Q13315 2/20 0.48
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL10595513 0.85 ALDH1A1 (0.59) ALDH1A1MAPTPOLBALOX15NR1I2
SCHEMBL27396817 0.85 GPR3 (0.44) ALDH1A1MAPTPOLBHTTKDM4E
SCHEMBL370445 0.81 ESR1 (0.45) MAPTWDR5
SCHEMBL13141415 0.81 GPR3 (0.44) ALDH1A1MAPTALOX15LMNACYP2C9
SCHEMBL7204289 0.80 ESRRA (0.72) ALDH1A1MAPTPOLBALOX15NR1I2
SCHEMBL28440086 0.79 ALDH1A1 (0.57) ALDH1A1MAPTPOLBALOX15NR1I2
SCHEMBL25589644 0.79 GPR3 (0.43) MAPTALOX15LMNACYP2C9HSD17B10
SCHEMBL10064799 0.79 GPR3 (0.44) MAPTPOLB
SCHEMBL17688872 0.79 GPR3 (0.44) MAPTALOX15LMNACYP2C9HSD17B10
SCHEMBL13439935 0.79 GPR3 (0.44) ALOX15LMNACYP2C9HSD17B10GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2021-08-05 US disclosed
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
US-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-29 US disclosed
US-10392392-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-20190071446-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2019-03-07 US disclosed
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-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 (9 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-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors PIM2, PIM1, PIM3 ALDH1A1 2430/4885MAPT 2610/4885POLB 1602/4885
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 ALDH1A1 1698/4885MAPT 4110/4885POLB 1882/4885
US-20190071446-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885MAPT 611/4885POLB 2922/4885
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885MAPT 611/4885POLB 2922/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3601/4885MAPT 764/4885POLB 3728/4885
US-10392392-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors PIM1, PIM2, PIM3 ALDH1A1 3557/4885MAPT 727/4885POLB 2699/4885
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 ALDH1A1 1612/4885MAPT 4202/4885POLB 1865/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 ALDH1A1 3433/4885MAPT 611/4885POLB 2922/4885
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC ALDH1A1 4345/4885MAPT 2051/4885POLB 1717/4885

“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.