SCHEMBL1536435

SCHEMBL1536435

COc1cc2cc[nH]c(=O)c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.42
MAP2K1 Q02750 2/20 0.41
GRM5 P41594 1/20 0.41
PARP1 P09874 1/20 0.41
ROCK2 O75116 2/20 0.40
ATIC P31939 1/20 0.39
SRC P12931 1/20 0.38
P2RX7 Q99572 4/20 0.38
CYP19A1 P11511 1/20 0.37
PRKACA P17612 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKG1 Q13976 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
TRPA1 O75762 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
SCHEMBL15814720 0.94 ATIC (0.41) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL3951034 0.86 ROCK1 (0.46) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL1204984 0.82 ROCK1 (0.55) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL3314460 0.81 GPR84 (0.52) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL1536538 0.81 MAP2K1 (0.56) ROCK1MAP2K1ROCK2PKN2
SCHEMBL731374 0.81 GRIN2D (0.47) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL31083057 0.81 GRIN2D (0.47) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL14581617 0.78 ALDH1A1 (0.47) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL12034618 0.78 PARP1 (0.44) ROCK1MAP2K1GRM5PARP1ROCK2
SCHEMBL4001261 0.77 ROCK1 (0.42) ROCK1MAP2K1GRM5PARP1ROCK2

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 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
WO-2005051410-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 WO disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO 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 (5 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R ROCK1 2610/4885MAP2K1 4779/4885GRM5 3762/4885
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 ROCK1 3123/4885MAP2K1 2368/4885GRM5 1460/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS ROCK1 2615/4885MAP2K1 4543/4885GRM5 4565/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 ROCK1 835/4885MAP2K1 4500/4885GRM5 4218/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP ROCK1 2378/4885MAP2K1 2803/4885GRM5 727/4885

“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.