SCHEMBL21752834

SCHEMBL21752834

CSc1cc(F)cc([C@H]2CCCN2c2ccc3ncc(C(=O)N[C@H]4CCNC4)n3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.45
NTRK2 Q16620 5/20 0.44
NTRK3 Q16288 4/20 0.44
JAK2 O60674 2/20 0.44
INSR P06213 2/20 0.44
LYN P07948 2/20 0.44
RET P07949 2/20 0.44
MET P08581 2/20 0.44
ROS1 P08922 2/20 0.44
FGR P09769 2/20 0.44
KIT P10721 2/20 0.44
FGFR4 P22455 2/20 0.44
FGFR3 P22607 2/20 0.44
TIE1 P35590 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
ALK Q9UM73 2/20 0.44
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL21765977 0.88 IRAK4 (0.39) NTRK1
SCHEMBL21752812 0.88 IRAK4 (0.39) NTRK1
SCHEMBL30032848 0.88 IRAK4 (0.39) NTRK1
SCHEMBL21752837 0.86 NTRK1 (0.45) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL21752895 0.86 NTRK1 (0.54) NTRK1
SCHEMBL21765970 0.86 NTRK1 (0.54) NTRK1
SCHEMBL21752904 0.84 NTRK1 (0.50) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL23761835 0.84 NTRK1 (0.39) NTRK1
SCHEMBL23761658 0.83 NTRK1 (0.49) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL30056738 0.83 NTRK1 (0.49) NTRK1NTRK2NTRK3JAK2INSR

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
CN-112805062-B Imidazo [1,2-b ] pyridazines as Trk inhibitors 博善人工智能生物科技有限公司 2024-06-04 CN disclosed
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 15/4885NTRK2 16/4885NTRK3 19/4885
US-20210253572-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS MUSK, TPM3, CSNK1A1 NTRK1 6/4885NTRK2 7/4885NTRK3 11/4885

“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.