SCHEMBL22601469

SCHEMBL22601469

CC(C)(C)c1ccc(-c2ccc(F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
GRM5 P41594 1/20 0.37
PTGS2 P35354 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP17A1 P05093 1/20 0.37
FAAH O00519 1/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.36
KIF11 P52732 1/20 0.35
LGMN Q99538 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL14327688 0.87 KIF11 (0.38) CYP2C19KCNH2KIF11LGMN
SCHEMBL25557807 0.83 TSHR (0.41) PDGFRBPDGFRAKIF11LGMN
SCHEMBL4729458 0.83 TRPV4 (0.37) SQORGRM5PTGS2CYP3A4CYP2C9
SCHEMBL24593921 0.82 CYP3A4 (0.39) GPR55PDGFRBPDGFRAGRM5PTGS2
SCHEMBL14062425 0.82 KIF11 (0.53) KIF11
SCHEMBL10220397 0.82 NPC1 (0.45) KCNH2KIF11LGMN
SCHEMBL12173602 0.82 KIF11 (0.53) KIF11
SCHEMBL25658846 0.80 CYP11B2 (0.43) GPR55LGMN
SCHEMBL22601471 0.80 KIF11 (0.55) PDGFRBPDGFRACYP3A4KIF11
SCHEMBL4790086 0.76 SOS1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (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-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK GPR55 3581/4885PDGFRB 2967/4885PDGFRA 3118/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 GPR55 3742/4885PDGFRB 4116/4885PDGFRA 4309/4885

“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.