SCHEMBL102751

SCHEMBL102751

FC(F)(F)c1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.76
DYRK2 Q92630 4/20 0.76
CCNA2 P20248 3/20 0.74
CDK2 P24941 3/20 0.74
CDK5 Q00535 3/20 0.74
CDK5R1 Q15078 3/20 0.74
DYRK1B Q9Y463 3/20 0.74
FYN P06241 10/20 0.74
DYRK3 O43781 2/20 0.70
CCNT1 O60563 2/20 0.70
CDK9 P50750 2/20 0.70
KCNH2 Q12809 3/20 0.62
PIM1 P11309 1/20 0.62
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
GABRA1 P14867 1/20 0.61
HPGD P15428 1/20 0.61
GABRG2 P18507 1/20 0.61

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
SCHEMBL16331190 0.94 FYN (0.79) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL16332275 0.91 DYRK1A (0.71) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL16331562 0.87 FYN (0.74) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL18613315 0.86 FYN (1.00) FYN
SCHEMBL30521676 0.86 FYN (1.00) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL20485666 0.86 FYN (1.00) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL22421544 0.85 DYRK1A (0.74) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL29920550 0.85 KDM4E (0.67) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL29555692 0.85 DYRK1A (1.00) DYRK1ADYRK2CCNA2CDK2CDK5
SCHEMBL10849053 0.85 KDM4E (0.67) DYRK1ADYRK2CCNA2CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086979-B1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS INC (US) 2015-06-03 EP disclosed
US-8710057-B2 Imidazo[1,2-B]pyridazine and pyrazolo[1 .5-A]pyrimidine derivatives and their use as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-8710057-B2 Imidazo[1,2-B]pyridazine and pyrazolo[1 .5-A]pyrimidine derivatives and their use as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2014-04-29 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-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 US disclosed
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2011-11-17 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
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 US disclosed
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-10-23 US disclosed
WO-2008058126-A2 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-15 WO 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 DYRK1A 184/4885DYRK2 199/4885CCNA2 799/4885
US-20110281863-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 DYRK1A 184/4885DYRK2 199/4885CCNA2 799/4885
US-20080261988-A1 IMIDAZO[1,2-beta]PYRIDAZINE AND PYRAZOLO[1,5-alpha]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 DYRK1A 221/4885DYRK2 229/4885CCNA2 929/4885
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 DYRK1A 221/4885DYRK2 229/4885CCNA2 929/4885

“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.