SCHEMBL103576

SCHEMBL103576

N#Cc1cccc(-c2cnc3ccc(N[C@H]4CC[C@@H](O)CC4)nn23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 18/20 1.00
▸ KCNH2 Q12809 3/20 0.74
▸ NTRK1 P04629 1/20 0.59
▸ NTRK3 Q16288 1/20 0.59
▸ NTRK2 Q16620 1/20 0.59
▸ FYN P06241 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
SCHEMBL138888 1.00 PIM1 (1.00) PIM1KCNH2NTRK1NTRK3NTRK2
SCHEMBL102864 1.00 PIM1 (1.00) PIM1KCNH2NTRK1NTRK3NTRK2
SCHEMBL1053202 0.89 PIM1 (0.80) PIM1KCNH2NTRK1NTRK3NTRK2
SCHEMBL4692371 0.88 PIM1 (0.79) PIM1KCNH2NTRK1NTRK3NTRK2
SCHEMBL3041389 0.86 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL3041385 0.86 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL3044405 0.86 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL2951802 0.86 PIM1 (0.78) PIM1KCNH2FYN
SCHEMBL138855 0.85 PIM1 (1.00) PIM1KCNH2
SCHEMBL3040037 0.85 PIM1 (0.77) PIM1KCNH2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 1556/4885NTRK1 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.

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