SCHEMBL4339198

SCHEMBL4339198

CCOCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MAP2K4 P45985 1/20 0.39
NTRK1 P04629 1/20 0.38
MAP3K5 Q99683 1/20 0.38
LMNA P02545 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TTK P33981 2/20 0.38
MAPK8 P45983 2/20 0.38
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL4334940 0.86 MAP4K4 (0.48) MAPK1JAK2JAK3MAP2K4NTRK1
SCHEMBL4336457 0.85 MAPK1 (0.50) MAPK1KDM4EALDH1A1HPGDJAK2
SCHEMBL4340999 0.85 WNT1 (0.51) MAPK1ALDH1A1MAPK8DYRK1AWNT1
SCHEMBL4340944 0.85 DYRK1A (0.38) MAPK1JAK2JAK3MAP2K4NTRK1
SCHEMBL2872493 0.83 MAPK1 (0.57) MAPK1NTRK1MAP3K5TTKMAPK8
SCHEMBL4331947 0.80 NAMPT (0.45) MAPK1JAK2JAK3LMNACDK4
SCHEMBL4346817 0.80 TAAR1 (0.49) MAPK1KDM4ELMNATTKCDK4
SCHEMBL27536113 0.80 MAP2K4 (0.47) JAK2JAK3MAP2K4NTRK1TTK
SCHEMBL2864882 0.79 TP53 (0.53) KDM4EALDH1A1HPGD
SCHEMBL2866826 0.78 DYRK1A (0.52) HPGDMAP2K4MAP3K5MAPK8DYRK1A

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 7 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
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-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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US 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 (2 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 MAPK1 1/4885KDM4E 2531/4885ALDH1A1 1588/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885KDM4E 2531/4885ALDH1A1 1588/4885

“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.