SCHEMBL4334940

SCHEMBL4334940

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
ABL1 P00519 3/20 0.40
BCR P11274 3/20 0.40
DYRK1A Q13627 6/20 0.39
MAP2K4 P45985 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NTRK1 P04629 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK1 P28482 1/20 0.38
GSK3B P49841 1/20 0.38
WNT1 P04628 3/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MAP2K7 O14733 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL4343211 0.88 MAP4K4 (0.45) MAP4K4ABL1BCRDYRK1AMAP2K4
SCHEMBL4340999 0.88 WNT1 (0.51) DYRK1AMAPK8MAPK1WNT1
SCHEMBL4340944 0.88 DYRK1A (0.38) MAP4K4ABL1BCRDYRK1AMAP2K4
SCHEMBL4339198 0.86 MAPK1 (0.47) ABL1BCRDYRK1AMAP2K4CDK4
SCHEMBL4327031 0.86 MTNR1A (0.41) ABL1BCRDYRK1ACDK4CCND1
SCHEMBL4346817 0.85 TAAR1 (0.49) CDK4CCND1TTKMAPK1
SCHEMBL4334482 0.82 MAP4K4 (0.51) MAP4K4ABL1BCRDYRK1AMAP2K4
SCHEMBL4334601 0.82 MAP4K4 (0.50) MAP4K4ABL1BCRDYRK1AMAP2K4
SCHEMBL4331947 0.81 NAMPT (0.45) CDK4CCND1MAPK1JAK2JAK3
SCHEMBL2866826 0.81 DYRK1A (0.52) MAP4K4DYRK1AMAP2K4MAPK8GSK3B

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 MAP4K4 63/4885ABL1 92/4885BCR 407/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP4K4 63/4885ABL1 92/4885BCR 407/4885

“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.