SCHEMBL4334601

SCHEMBL4334601

CC(=O)NCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
MAP2K4 P45985 3/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MAPK1 P28482 3/20 0.42
MAP2K7 O14733 1/20 0.41
NTRK1 P04629 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TTK P33981 3/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MAPK8 P45983 1/20 0.40
DYRK1A Q13627 3/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4334482 0.91 MAP4K4 (0.51) MAP4K4MAP2K4CDK4CCND1MAPK1
SCHEMBL4332627 0.88 MAPK8 (0.49) MAP2K4CDK4CCND1MAPK1HSP90AA1
SCHEMBL4340974 0.87 NTRK1 (0.49) MAP4K4MAP2K4MAPK1NTRK1TTK
SCHEMBL4334940 0.82 MAP4K4 (0.48) MAP4K4MAP2K4CDK4CCND1MAPK1
SCHEMBL2866807 0.81 DYRK1A (0.52) MAP4K4MAP2K4MAP2K7MAPK8DYRK1A
SCHEMBL4341451 0.81 KDM4E (0.49) MAP2K4MAPK1MAP2K7TTK
SCHEMBL4340981 0.81 HPGD (0.52) MAPK1HSP90AA1HSP90AB1MAPK8
SCHEMBL2861899 0.80 MAP2K4 (0.58) MAP2K4MAPK1MAP2K7HSP90AA1HSP90AB1
SCHEMBL4336394 0.80 MAPK1 (0.41) MAP2K4CDK4CCND1MAPK1NTRK1
SCHEMBL4343203 0.79 WNT1 (0.52) MAP2K4CDK4CCND1MAPK1NTRK1

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 63/4885MAP2K4 61/4885CDK4 103/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP4K4 63/4885MAP2K4 61/4885CDK4 103/4885

“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.