SCHEMBL4339889

SCHEMBL4339889

COc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CYP1A2 P05177 1/20 0.39
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38
NAMPT P43490 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4334979 0.93 MAPT (0.44) CYP1A2SMN1; SMN2NPC1RAB9APOLB
SCHEMBL4335922 0.88 CYP1A2 (0.41) BRD4ROCK2ROCK1TAAR1CYP1A2
SCHEMBL4335810 0.87 JAK2 (0.39) NAMPTNPC1RAB9AMAPK10JAK2
SCHEMBL4335936 0.85 BRD4 (0.47) BRD4ROCK2ROCK1TAAR1IL1B
SCHEMBL13198254 0.85 DRD2 (0.40) NAMPTRAB9AMAPK10JAK2JAK3
SCHEMBL4334929 0.85 LMNA (0.41) NAMPTRAB9AMAPK10MAPTJAK2
SCHEMBL4332920 0.84 JAK2 (0.42) NAMPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4341547 0.84 BRD4 (0.46) BRD4ROCK2ROCK1TAAR1IL1B
SCHEMBL2865451 0.82 MAPK10 (0.42) MAPK10JAK2JAK3
SCHEMBL4332224 0.81 MAPT (0.46) CYP1A2SMN1; SMN2POLBGAAHPGD

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 BRD4 95/4885ROCK2 805/4885ROCK1 504/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 BRD4 95/4885ROCK2 805/4885ROCK1 504/4885

“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.