SCHEMBL24358640

SCHEMBL24358640

C#Cc1n[nH]c2cc(C(=O)OC)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.51
▸ KIF11 P52732 1/20 0.49
▸ PARP1 P09874 3/20 0.46
▸ DYRK1A Q13627 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ FLT3 P36888 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PSMB8 P28062 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
SCHEMBL9952331 0.89 KDM4E (0.47) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL2671233 0.86 MAP2K4 (0.51) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL2671565 0.80 MAP2K4 (0.59) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL30159687 0.80 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL4404846 0.80 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL1501576 0.80 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL31750236 0.80 MAP2K4 (0.56) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL12491369 0.78 MAP2K4 (0.61) MAP2K4KIF11PARP1DYRK1ARAB9A
Methyl Alcohol SCHEMBL6305572 0.78 MAP2K4 (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A
SCHEMBL2671519 0.78 MAP2K4 (0.54) MAP2K4KIF11PARP1DYRK1ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 — — US disclosed
CN-113474334-A Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer 默克专利股份公司 2021-10-01 — — 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-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 MAP2K4 566/4885KIF11 1934/4885PARP1 2950/4885

“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.

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