SCHEMBL23554308

SCHEMBL23554308

Cn1cc2nc(CO)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
PDE10A Q9Y233 7/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
LGALS3 P17931 1/20 0.32
PDE4D Q08499 1/20 0.32
NOTUM Q6P988 3/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
SLC5A2 P31639 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
SCHEMBL19836258 0.83 KDM4E (0.38) KDM4EMAPTNSD2ALDH1A1PDE10A
SCHEMBL23530240 0.79 CCR1 (0.38) CCR1NOTUMSLC5A2
SCHEMBL23554769 0.77 IRAK4 (0.38) CCR1MAPTCSNK1DPDE4D
SCHEMBL23529975 0.73 POLB (0.44) KDM4EALDH1A1
SCHEMBL15344994 0.72 CYP1A2 (0.42) CCR1KDM4EMAPTNSD2ALDH1A1
SCHEMBL22445824 0.71 KDM4E (0.40) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL24457554 0.71 KDM4E (0.48) KDM4EMAPTNSD2ALDH1A1
SCHEMBL24165627 0.71 KDM4E (0.40) KDM4EMAPTNSD2ALDH1A1MAOA
SCHEMBL23530005 0.71 IRAK4 (0.38)
SCHEMBL23530287 0.70 ADORA3 (0.44) MAPTNOTUM

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 5 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

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 CCR1 4517/4885KDM4E 4228/4885MAPT 3705/4885

“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.