SCHEMBL5774026

SCHEMBL5774026

Cc1nnc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
THRB P10828 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5776626 0.89 SMN1; SMN2 (0.42) HDAC1HDAC2HDAC8THRBTP53
SCHEMBL5773575 0.79 ALDH1A1 (0.56) KDM4ELMNA
SCHEMBL5777386 0.78 LMNA (0.47) KDM4EMAPTCNR2MAPK14LMNA
SCHEMBL5769962 0.78 SMN1; SMN2 (0.41) KDM4EHDAC1HDAC2HDAC8THRB
SCHEMBL5771249 0.76 RAB9A (0.51) ATMHDAC1HDAC2MAPTLMNA
SCHEMBL5776674 0.76 SMN1; SMN2 (0.46) KDM4ETP53MAPTLMNATSHR
SCHEMBL5773931 0.75 CYP11B1 (0.44) KDM4EHDAC1HDAC2HDAC8MAPT
SCHEMBL5773415 0.75 MTNR1A (0.38) KDM4EHDAC1HDAC2HDAC8TP53
SCHEMBL5773332 0.74 CNR2 (0.51) THRBTP53MAPTCNR1CNR2
SCHEMBL5773998 0.74 FFAR1 (0.46) KDM4EMAPTLMNATSHR

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
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR KDM4E 3953/4885ATM 2107/4885HDAC1 353/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KDM4E 3347/4885ATM 2206/4885HDAC1 184/4885

“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.