SCHEMBL13087702

SCHEMBL13087702

COc1cc(C)c2cnccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.51
CYP11B2 P19099 7/20 0.50
CYP11B1 P15538 6/20 0.50
ACHE P22303 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP17A1 P05093 3/20 0.41
CYP19A1 P11511 1/20 0.41
CHUK O15111 1/20 0.41
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL31227303 0.88 MAOA (0.44) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL29831723 0.82 MAOA (0.60) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL2423594 0.82 MAOA (0.51) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL4411993 0.82 MAOA (0.60) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL11183612 0.81 MAOA (0.50) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL21237191 0.78 MAOA (0.47) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL13087968 0.78 MAOA (0.47) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL3701838 0.77 CYP1A2 (0.52) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL13087698 0.76 MAOA (0.45) MAOACYP11B2CYP11B1ACHECYP1A2
SCHEMBL31227991 0.76 MAOA (0.43) MAOACYP11B2CYP11B1ACHECHUK

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-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US 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 MAOA 4090/4885CYP11B2 363/4885CYP11B1 353/4885

“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.