SCHEMBL103265

SCHEMBL103265

CCC(CO)Nc1ccc2ncc(-c3ccc(C(F)(F)F)cc3)n2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 1.00
DYRK2 Q92630 13/20 1.00
DYRK1B Q9Y463 13/20 1.00
CCNT1 O60563 11/20 1.00
CDK9 P50750 11/20 1.00
CDK5 Q00535 11/20 1.00
CDK5R1 Q15078 11/20 1.00
DYRK3 O43781 11/20 1.00
CCNA2 P20248 9/20 1.00
CDK2 P24941 9/20 1.00
FYN P06241 6/20 0.74

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
SCHEMBL102940 0.88 FYN (0.79) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL102955 0.88 DYRK1A (1.00) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL102952 0.86 FYN (0.77) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL18613549 0.85 FYN (1.00) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL102984 0.85 FYN (0.79) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL102507 0.85 FYN (0.79) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL2942425 0.83 FYN (1.00) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL102225 0.83 FYN (0.76) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL21067856 0.83 DYRK1A (0.78) DYRK1ADYRK2DYRK1BCCNT1CDK9
SCHEMBL2950363 0.83 DYRK1A (0.78) DYRK1ADYRK2DYRK1BCCNT1CDK9

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-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 199/4885DYRK1B 185/4885
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 199/4885DYRK1B 185/4885
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 229/4885DYRK1B 235/4885
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 229/4885DYRK1B 235/4885

“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.