SCHEMBL21752912

SCHEMBL21752912

CSc1ccc(F)cc1[C@H]1C[C@H](F)CN1c1ccc2ncc(C(=O)N[C@H]3CCNC3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 19/20 0.42
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL21765947 1.00 NTRK1 (0.42) NTRK1IRAK4
SCHEMBL30055958 1.00 NTRK1 (0.42) NTRK1IRAK4
SCHEMBL23673958 0.93 NTRK1 (0.41) NTRK1IRAK4
SCHEMBL30032962 0.93 NTRK1 (0.41) NTRK1IRAK4
SCHEMBL29894575 0.90 NTRK1 (0.46) NTRK1
SCHEMBL21637234 0.90 NTRK1 (0.46) NTRK1
SCHEMBL21752895 0.88 NTRK1 (0.54) NTRK1
SCHEMBL21765970 0.88 NTRK1 (0.54) NTRK1
SCHEMBL21765977 0.86 IRAK4 (0.39) NTRK1IRAK4
SCHEMBL21752903 0.86 NTRK1 (0.44) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 EP disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
US-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2023-05-18 US disclosed
EP-4093404-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BenevolentAI Bio Limited (GB) 2022-11-30 EP disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAl Bio Limited (GB) 2021-08-19 US disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 WO disclosed
EP-3840832-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BenevolentAI Bio Limited (GB) 2021-06-30 EP disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 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 (2 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-20230149398-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS TNK2, TNIK, TNK1 NTRK1 15/4885IRAK4 520/4885
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS MUSK, TPM3, CSNK1A1 NTRK1 6/4885IRAK4 447/4885

“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.