Sugi Predict

Sugi Predict / Compounds / SCHEMBL102889

SCHEMBL102889

SCHEMBL102889

OC[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 17/20 1.00
▸ KCNH2 Q12809 4/20 0.80
▸ PIM3 Q86V86 1/20 0.75
▸ PIM2 Q9P1W9 1/20 0.75
▸ FYN P06241 1/20 0.62
▸ CDK2 P24941 2/20 0.59
▸ CCNT1 O60563 1/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CDK9 P50750 1/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ DYRK1A Q13627 1/20 0.59
▸ CDK5R1 Q15078 1/20 0.59
▸ DYRK2 Q92630 1/20 0.59
▸ DYRK1B Q9Y463 1/20 0.59
▸ FLT3 P36888 2/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ JAK3 P52333 1/20 0.58
▸ PRKCQ Q04759 1/20 0.58
▸ IRAK4 Q9NWZ3 1/20 0.58

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
SCHEMBL102865 0.89 PIM1 (1.00) PIM1KCNH2PIM3PIM2FYN
SCHEMBL136162 0.89 PIM1 (1.00) PIM1KCNH2PIM3PIM2FYN
SCHEMBL14639168 0.88 PIM1 (0.83) PIM1KCNH2PIM3PIM2FYN
SCHEMBL19987100 0.88 PIM1 (0.83) PIM1KCNH2PIM3PIM2CDK2
SCHEMBL14639167 0.88 PIM1 (0.83) PIM1KCNH2PIM3PIM2FYN
SCHEMBL16211202 0.88 PIM1 (0.79) PIM1KCNH2PIM3PIM2FYN
SCHEMBL24736843 0.88 PIM1 (0.83) PIM1KCNH2PIM3PIM2FYN
SCHEMBL19987067 0.88 PIM1 (0.83) PIM1KCNH2PIM3PIM2FYN
SCHEMBL24736837 0.87 PIM1 (0.77) PIM1KCNH2PIM3PIM2FYN
SCHEMBL24736845 0.87 PIM1 (0.77) PIM1KCNH2PIM3PIM2FYN

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 PIM1 1/4885KCNH2 1556/4885PIM3 3/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885KCNH2 1599/4885PIM3 3/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885KCNH2 1832/4885PIM3 3/4885

“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.