SCHEMBL2422700

SCHEMBL2422700

O=S(=O)(Oc1cc(Br)c2cnccc2c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGS1 P23219 11/20 0.36
PTGS2 P35354 10/20 0.36
MAOA P21397 2/20 0.36
CCNT1 O60563 1/20 0.35
PIM1 P11309 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
IKBKB O14920 1/20 0.33
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL7287307 0.78 CA1 (0.45) CA1CA2PTGS1PTGS2SLC22A12
SCHEMBL1401395 0.77 CA1 (0.44) CA1CA2PTGS1PTGS2SLC22A12
SCHEMBL2426647 0.76 KMT2A (0.45) CA2HTT
SCHEMBL2423594 0.76 MAOA (0.51) MAOACCNT1PIM1CDK9HASPIN
SCHEMBL30048870 0.71 ROCK2 (0.42) CA2MAOAKDM4EHTT
SCHEMBL29181827 0.71 ROCK2 (0.42) CA2MAOAKDM4EHTT
SCHEMBL31473710 0.71 PDE4A (0.37) CA1CA2PTGS1PTGS2MAOA
SCHEMBL24607724 0.70 HTT (0.42) MAOACCNT1PIM1CDK9HASPIN
SCHEMBL29751226 0.70 HTT (0.42) MAOACCNT1PIM1CDK9HASPIN
SCHEMBL5308131 0.69 CA2 (0.42) CA1CA2PTGS1PTGS2SLC22A12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 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 (1 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 CA1 3830/4885CA2 4064/4885PTGS1 105/4885

“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.