SCHEMBL25529152

SCHEMBL25529152

O=c1c(Br)nccn1-c1ccc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.35
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 2/20 0.31
GRM5 P41594 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
GRIA1 P42261 1/20 0.30

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
SCHEMBL25205512 0.78 TYK2 (0.38) TYK2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL30174234 0.78 TYK2 (0.38) TYK2MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL25529147 0.77 TYK2 (0.38) TYK2ALDH1A1NPC1RAB9ARXFP1
SCHEMBL25533553 0.74 KDM4E (0.42) TYK2MAPTALDH1A1RAB9ACYP1A2
SCHEMBL25529136 0.72 MAPK14 (0.40) ALDH1A1NPC1RAB9ARXFP1KMT2A
SCHEMBL20689567 0.72 TYK2 (0.47) TYK2MAPTGRM5
SCHEMBL25419180 0.72 TYK2 (0.35) TYK2GRM5GPR119GRIA1
SCHEMBL30452501 0.72 TYK2 (0.47) TYK2MAPTGRM5
SCHEMBL30174309 0.72 TYK2 (0.35) TYK2GRM5GPR119GRIA1
SCHEMBL30367326 0.69 TYK2 (0.47) TYK2MAPTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX TYK2 391/4885MAPT 1805/4885ALDH1A1 3998/4885

“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.