SCHEMBL4505233

SCHEMBL4505233

CC(C)c1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.41
GPR139 Q6DWJ6 6/20 0.40
PDE2A O00408 3/20 0.38
CNR1 P21554 1/20 0.37
CTSD P07339 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.36
TRPV1 Q8NER1 1/20 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
SCHEMBL30796404 1.00 PTGES (0.41) PTGESGPR139PDE2ACNR1CTSD
SCHEMBL4513778 0.95 PTGES (0.41) PTGESGPR139CNR1KDM4ELMNA
SCHEMBL30795275 0.95 PTGES (0.41) PTGESGPR139CNR1KDM4ELMNA
SCHEMBL30814154 0.92 GPR139 (0.46) PTGESGPR139PDE2A
SCHEMBL4520673 0.92 GPR139 (0.46) PTGESGPR139PDE2A
SCHEMBL30795732 0.91 PTGES (0.44) PTGESGPR139CNR1KDM4ELMNA
SCHEMBL4521933 0.91 PTGES (0.44) PTGESGPR139CNR1KDM4ELMNA
SCHEMBL30794992 0.89 GPR139 (0.48) GPR139CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4508533 0.89 GPR139 (0.48) GPR139CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4518291 0.89 PRLHR (0.38) PTGESGPR139KDM4ELMNACYP1A2

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-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 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-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use KCNA7, KCNN3, KCNQ5 PTGES 2293/4885GPR139 1959/4885PDE2A 536/4885

“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.