SCHEMBL6719372

SCHEMBL6719372

CSc1c(F)c(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
F10 P00742 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
P2RY1 P47900 6/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
PPP1CA P62136 1/20 0.40
MEN1 O00255 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL6719360 0.85 F10 (0.61) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6727221 0.83 ADORA2A (0.49) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6730701 0.83 ADORA2A (0.51) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6719832 0.82 ADORA2A (0.48) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6727035 0.81 KDM4E (0.49) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6719902 0.80 F10 (0.58) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6724192 0.78 F10 (0.58) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6719376 0.78 F10 (0.58) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6723916 0.76 F10 (0.56) ADORA2AF10ABCG2NPSR1CYP1A2
SCHEMBL6727095 0.75 F10 (0.58) ADORA2AF10KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US claimed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP claimed
US-20010011064-A1 Herbicidal 3,5-difluoropyridines AMERICAN CYANAMID COMPANY (US) 2001-08-02 US claimed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 EP claimed
US-6673745-B2 Herbicidal 3,5-difluoropyridines BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP disclosed
US-6310006-B1 CONTROLLING WEEDS AMERICAN CYANAMID COMPANY 2001-10-30 US disclosed
US-20010011064-A1 Herbicidal 3,5-difluoropyridines AMERICAN CYANAMID COMPANY (US) 2001-08-02 US disclosed
EP-0887343-A1 Herbicidal 3,5-difluoropyridines American Cyanamid Company (US) 1998-12-30 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 (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-20010011064-A1 Herbicidal 3,5-difluoropyridines DDT, CYP1B1, NQO2 ADORA2A 1964/4885F10 4430/4885ABCG2 531/4885

“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.