SCHEMBL2867525

SCHEMBL2867525

COC(=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
SLC6A3 Q01959 6/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 2/20 0.49
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
KDR P35968 1/20 0.45
MAP2K4 P45985 2/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAP4K1 Q92918 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL2857443 0.86 CA12 (0.46) ALPLCDK4CCNA2CCND1CDK2
SCHEMBL27536113 0.84 MAP2K4 (0.47) KDRMAP2K4JAK2JAK3
SCHEMBL4327031 0.81 MTNR1A (0.41) ALPLCDK4CCNA2CCND1CDK2
SCHEMBL2861587 0.81 KDR (0.49) KDR
SCHEMBL4339304 0.81 SCN9A (0.39) ALPLCDK4CCNA2CCND1CDK2
SCHEMBL2863679 0.80 JAK2 (0.44) SLC6A3MAP2K4ALDH1A1JAK2JAK3
SCHEMBL4341086 0.79 MAPK1 (0.41) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2861482 0.79 CDK4 (0.48) ALPLSLC6A3SLC6A2SLC6A4CDK4
SCHEMBL13636075 0.78 CDK4 (0.47) ALPLSLC6A3SLC6A2SLC6A4CDK4
Cyclopropanecarboxylic Acid Amide SCHEMBL2861585 0.77 NPC1 (0.40) CDK4CCNA2CCND1CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ALPL 4202/4885SLC6A3 1999/4885SLC6A2 2868/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ALPL 4224/4885SLC6A3 2551/4885SLC6A2 3158/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ALPL 4202/4885SLC6A3 1999/4885SLC6A2 2868/4885

“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.