SCHEMBL6726972

SCHEMBL6726972

Cc1c(F)c(Oc2cc(C(C)C)nn2C)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMT2A Q03164 1/20 0.36
TDP2 O95551 1/20 0.35
GRM5 P41594 1/20 0.35
F10 P00742 1/20 0.35
CASR P41180 1/20 0.34
DHODH Q02127 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC34A1 Q06495 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM5A P29375 1/20 0.33
SCN9A Q15858 1/20 0.33
PDE2A O00408 1/20 0.33
TOP1 P11387 1/20 0.33
MCHR1 Q99705 1/20 0.32

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
SCHEMBL6724284 0.86 ADORA2A (0.51) ADORA2AADORA1KMT2ATDP2GRM5
SCHEMBL6727231 0.83 ADORA2A (0.36) ADORA2AADORA1KMT2ATDP2GRM5
SCHEMBL6722789 0.77 TDP2 (0.37) KMT2ATDP2GRM5F10DHODH
SCHEMBL6967510 0.75 KCNH2 (0.36) KMT2ATDP2GRM5F10DHODH
SCHEMBL6719360 0.73 F10 (0.61) ADORA2AKMT2AF10
SCHEMBL5781141 0.72 KMT2A (0.53) ADORA2AADORA1KMT2AF10
SCHEMBL6723916 0.71 F10 (0.56) ADORA2AKMT2AF10
SCHEMBL6726983 0.71 F10 (0.48) ADORA2AF10
SCHEMBL8125502 0.70 F10 (0.40) ADORA2AKMT2AF10DHODHTOP1
SCHEMBL6727095 0.70 F10 (0.58) ADORA2AF10

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
EP-0887343-B1 Herbicidal 3,5-difluoropyridines BASF AG (DE) 2003-06-11 EP claimed
US-6310006-B1 CONTROLLING WEEDS AMERICAN CYANAMID COMPANY 2001-10-30 US 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 1964/4885ADORA1 627/4885KMT2A 994/4885

“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.