SCHEMBL6727231

SCHEMBL6727231

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
F10 P00742 1/20 0.36
POLB P06746 1/20 0.35
DHODH Q02127 2/20 0.35
KMT2A Q03164 1/20 0.35
SLC34A1 Q06495 4/20 0.35
TDP2 O95551 1/20 0.34
GRM5 P41594 1/20 0.34
KDM5A P29375 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GSR P00390 1/20 0.33

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 0.84 ADORA2A (0.51) ADORA2AADORA1F10DHODHKMT2A
SCHEMBL6726972 0.83 ADORA2A (0.38) ADORA2AADORA1F10DHODHKMT2A
SCHEMBL6723778 0.79 F10 (0.42) F10KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL6722789 0.76 TDP2 (0.37) F10DHODHKMT2ASLC34A1TDP2
SCHEMBL6724296 0.75 F10 (0.50) ADORA2AF10KIF11KDM4EHTT
SCHEMBL8550588 0.74 CTSS (0.40) POLBCTSSCTSKKIF11KDM4E
SCHEMBL6967510 0.73 KCNH2 (0.36) F10DHODHKMT2ASLC34A1TDP2
SCHEMBL6719360 0.71 F10 (0.61) ADORA2AF10KMT2AKDM4EHTT
SCHEMBL5781141 0.70 KMT2A (0.53) ADORA2AADORA1F10KMT2AKDM4E
SCHEMBL8125502 0.69 F10 (0.40) ADORA2AF10POLBDHODHKMT2A

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 627/4885F10 4430/4885

“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.