SCHEMBL23554571

SCHEMBL23554571

OCc1ccc(OCC2CCOC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
P2RX3 P56373 3/20 0.38
P2RX2 Q9UBL9 3/20 0.38
XDH P47989 1/20 0.37
GRM4 Q14833 7/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
GRM5 P41594 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL23530012 0.92 PIM1 (0.38) P2RX3P2RX2XDH
SCHEMBL30791991 0.78 XDH (0.44) MCHR1P2RX3P2RX2XDHGRM4
SCHEMBL23554540 0.78 XDH (0.44) MCHR1P2RX3P2RX2XDHGRM4
SCHEMBL23530040 0.77 SLC5A2 (0.42) P2RX3P2RX2
SCHEMBL23530302 0.76 POLB (0.41) CNR2
SCHEMBL29549714 0.74 SLC5A2 (0.48) P2RX3P2RX2
SCHEMBL23554570 0.74 SLC5A2 (0.48) P2RX3P2RX2
SCHEMBL1928108 0.71 MCHR1 (0.42) MCHR1XDHGRM4GRM5
SCHEMBL518065 0.71 CHRNB2 (0.48) XDHGRM4
SCHEMBL28044526 0.70 MAPT (0.51) XDH

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
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
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP 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 MCHR1 4263/4885P2RX3 242/4885P2RX2 248/4885

“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.