SCHEMBL23554698

SCHEMBL23554698

COCCn1ccc2ccc(CO)nc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 3/20 0.43
GLO1 Q04760 3/20 0.39
CCR1 P32246 1/20 0.39
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 1/20 0.33
MAP3K14 Q99558 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2B Q13224 1/20 0.32
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL30006177 1.00 MTNR1A (0.43) MTNR1AMTNR1BGLO1CCR1NFATC1
SCHEMBL23530024 0.93 MTNR1A (0.40) MTNR1AMTNR1BGLO1CCR1DYRK1A
SCHEMBL20939368 0.78 MTNR1A (0.62) MTNR1AMTNR1BGLO1MEN1KMT2A
SCHEMBL23554266 0.76 CCR1 (0.47) MTNR1AMTNR1BCCR1
SCHEMBL15687755 0.76 CCR1 (0.40) MTNR1AMTNR1BCCR1
SCHEMBL30458181 0.76 DGAT1 (0.35) MTNR1AMTNR1BCCR1
SCHEMBL23554291 0.75 ALDH1A1 (0.38) GLO1MEN1KMT2AALDH1A1
SCHEMBL29550363 0.75 ALDH1A1 (0.38) GLO1MEN1KMT2AALDH1A1
SCHEMBL23530330 0.73 MTNR1A (0.44) MTNR1AMTNR1BGLO1CNR2CNR1
SCHEMBL15687216 0.72 HTR6 (0.43) CCR1GSK3BDYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
CN-112979655-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2021-06-18 CN 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 MTNR1A 2302/4885MTNR1B 1058/4885GLO1 1382/4885

“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.