SCHEMBL12046325

SCHEMBL12046325

Fc1ccc(Nc2ccnc(N/N=C/c3ccc(OC(F)(F)C(F)F)cc3)n2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
PRKCA P17252 2/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
AURKA O14965 3/20 0.36
CDK4 P11802 2/20 0.36
CDK2 P24941 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.34
MET P08581 1/20 0.34
ROS1 P08922 1/20 0.34
ALK Q9UM73 1/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL12046555 0.93 PRKCA (0.41) TDO2PRKCABRAFKDRABL1
SCHEMBL12046560 0.92 IGF1R (0.41) TDO2BRAFKDRABL1BCR
SCHEMBL12046502 0.89 MAPT (0.36) TDO2PRKCABRAFKDRNPC1
SCHEMBL12046354 0.88 CA12 (0.34) TDO2BRAFKDRNPC1RAB9A
SCHEMBL8909785 0.87 SCN9A (0.37) TDO2PRKCAKDRABL1BCR
SCHEMBL12046552 0.85 MEN1 (0.36) PRKCANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL12046333 0.83 MAPT (0.36) PRKCASMN1; SMN2EGFRMETROS1
SCHEMBL12046451 0.81 EGFR (0.37) PRKCANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL1323147 0.80 KMT2A (0.39) NPC1RAB9ASMN1; SMN2EGFRMET
SCHEMBL1323149 0.80 KMT2A (0.39) NPC1RAB9ASMN1; SMN2EGFRMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319615-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DOW AGROSCIENCES LLC (US) 2011-12-29 US disclosed
US-20110319615-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DOW AGROSCIENCES LLC (US) 2011-12-29 US disclosed
US-8058279-B2 Insecticidal pyrimidinyl aryl hyrdrazones DOW AGROSCIENCES LLC (US) 2011-11-15 US disclosed
US-8058279-B2 Insecticidal pyrimidinyl aryl hyrdrazones DOW AGROSCIENCES LLC (US) 2011-11-15 US disclosed
US-20090093480-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 US disclosed
US-20090093480-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-09 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 (2 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-20090093480-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DDT, HELZ, HPD TDO2 1841/4885PRKCA 4346/4885BRAF 3056/4885
US-20110319615-A1 INSECTICIDAL PYRIMIDINYL ARYL HYRDRAZONES DDT, HELZ, HPD TDO2 1841/4885PRKCA 4346/4885BRAF 3056/4885

“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.