SCHEMBL7546258

SCHEMBL7546258

Fc1ccc(-c2ccnc(Cl)n2)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.63
MPL P40238 3/20 0.51
AAK1 Q2M2I8 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
TRPV3 Q8NET8 3/20 0.42
F2RL3 Q96RI0 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL21508484 0.84 KMO (0.50) KMOAAK1CYP11B1CYP11B2CTSS
SCHEMBL447519 0.81 KMO (0.64) KMOTRPV3MAPTL3MBTL1
SCHEMBL24761199 0.80 MPL (0.59) KMOMPLF2RL3
SCHEMBL19072716 0.80 KMO (0.56) KMOMPLCYP11B1CYP11B2CTSS
SCHEMBL29751892 0.76 KMO (0.45) KMOMPLAAK1CTSSCTSK
SCHEMBL443863 0.76 KIF11 (0.47) KMOTRPV3MAPTL3MBTL1GABRA1
SCHEMBL7626033 0.75 KMO (0.55) KMOMPLCTSSCTSKTRPV3
SCHEMBL31375122 0.75 KMO (0.61) KMOAAK1MAPTL3MBTL1
SCHEMBL19072718 0.75 KMO (0.55) KMOMPLCTSSCTSKTRPV3
SCHEMBL3756448 0.75 KMO (0.48) KMOAAK1CYP11B1CYP11B2TRPV3

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-6440984-B1 PROTECTION FOR GROWING AND HARVESTED CROPS; CONTROLLING TOBACCO BUDWORMS AND SOUTHERN ARMYWORMS; PESTICIDES; INSECTICIDES; MITICIDES; ANTHELMINTICS BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY 2002-04-18 US disclosed
US-6306866-B1 2-ALKOXY SUBSTITUTED PYRIMIDINE DERIVATIVES AMERICAN CYANAMID COMPANY 2001-10-23 US disclosed
US-6153619-A Aryl-substituted pyrimidines as insecticidal and acaricidal agents AMERICAN CYANAMID COMPANY (US) 2000-11-28 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-20020045634-A1 Use of aryl-substituted pyrimidines as insecticidal and acaricidal agents YBX1, YBX3, CYP1B1 KMO 1317/4885MPL 1811/4885AAK1 258/4885

“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.