SCHEMBL4581437

SCHEMBL4581437

COc1ccc2c(c1)cc(C)n2-c1ccc(C#N)c(Nc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
CDK1 P06493 2/20 0.37
KDR P35968 2/20 0.37
LRRK2 Q5S007 1/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAP2K1 Q02750 3/20 0.37
RAF1 P04049 2/20 0.37
ACP1 P24666 2/20 0.37
ADORA2B P29275 2/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4581492 0.80 HSP90AA1 (0.54) GAAAKR1C3AKR1C2
SCHEMBL31267276 0.79 GAA (0.58) GAAAKR1C3AKR1C2KDM4EMAPT
SCHEMBL4580428 0.70 CYP19A1 (0.42) GAAKDM4EMAPTADORA2AADORA1
SCHEMBL14542619 0.70 RELA (0.44) AKR1C3AKR1C2KDM4EMAPTL3MBTL1
SCHEMBL75730 0.68 ALDH1A1 (0.43) AKR1C3AKR1C2KDM4EMAPTL3MBTL1
SCHEMBL74352 0.68 ATM (0.42) AKR1C3AKR1C2KDM4EMAPTL3MBTL1
SCHEMBL75134 0.66 CYP19A1 (0.52) KDM4EMAPTL3MBTL1LMNAMEN1
SCHEMBL20552293 0.66 MAPT (0.57) GAAKDM4EMAPTCDK1KDR
SCHEMBL28364827 0.65 KDM4E (0.55) GAAAKR1C3AKR1C2KDM4EMAPT
SCHEMBL20552322 0.64 LRRK2 (0.52) AKR1C3AKR1C2LRRK2ACP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 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 (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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 GAA 4328/4885AKR1C3 516/4885AKR1C2 940/4885

“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.