SCHEMBL2862865

SCHEMBL2862865

COC(=O)c1ccc2c(c(-c3cc4ccccc4s3)nn2C(c2ccccc2)(c2ccccc2)C2C=CC=CC2)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2855706 0.92 ACLY (0.32) KDM4ENPC1RAB9A
SCHEMBL2871264 0.84 SLC6A3 (0.35) SLC6A3JAK2JAK3KDM4ENPC1
SCHEMBL2862864 0.83 JAK2 (0.38) SLC6A3JAK2JAK3KDM4EALDH1A1
SCHEMBL2864981 0.76 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1
SCHEMBL2855702 0.74 CA12 (0.38) JAK2JAK3
SCHEMBL2871263 0.67 KDM4E (0.41) SLC6A3JAK2JAK3KDM4ENPC1
SCHEMBL2863679 0.67 JAK2 (0.44) SLC6A3JAK2JAK3KDM4EALDH1A1
SCHEMBL2864575 0.65 PIK3CD (0.42)
SCHEMBL3855952 0.64 HDAC1 (0.35) KDM4EALDH1A1
SCHEMBL2861533 0.62 ELANE (0.35) SLC6A3KDM4ENPC1RAB9AALDH1A1

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 SLC6A3 1999/4885JAK2 145/4885JAK3 776/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 SLC6A3 2551/4885JAK2 247/4885JAK3 743/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SLC6A3 1999/4885JAK2 145/4885JAK3 776/4885

“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.