SCHEMBL6897653

SCHEMBL6897653

COc1cc(Nc2cccc(-c3cccc(OC(F)(F)F)c3)n2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.63
BRAF P15056 13/20 0.52
RPS6KA2 Q15349 1/20 0.45
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
LCK P06239 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
ZAP70 P43403 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
FLT3 P36888 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL6893744 0.83 BRAF (0.53) IGF1RBRAFPRKD3PRKCGPRKCB
SCHEMBL6900559 0.82 BRAF (0.59) IGF1RBRAFPRKD3PRKCGPRKCB
SCHEMBL6895308 0.80 IGF1R (0.58) IGF1RBRAFFLT3
SCHEMBL7117471 0.80 BRAF (0.56) IGF1RBRAFPRKD3PRKCGPRKCB
SCHEMBL6901887 0.78 BRAF (0.54) IGF1RBRAFFLT3
SCHEMBL6981276 0.78 IGF1R (1.00) IGF1R
SCHEMBL14214611 0.74 IGF1R (0.70) IGF1RBRAFRPS6KA2
SCHEMBL7052008 0.73 NPC1 (0.51) BRAFFLT3
SCHEMBL27112535 0.73 MAPT (0.59) BRAF
SCHEMBL6897800 0.73 BRAF (0.57) IGF1RBRAFRPS6KA2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004510707-A 2004-04-08 JP claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US claimed
EP-1317266-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-11 EP claimed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 US claimed
WO-2002011724-A2 NEUROPROTECTIVE 2-PYRIDINAMINE COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
US-20030225085-A1 2-pyridinamine compositions and related methods GRANT ELFRIDA R (US) 2003-12-04 US disclosed
US-20020198219-A1 2-pyridinamine compositions and related methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-26 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-20030225085-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 IGF1R 3616/4885BRAF 4006/4885RPS6KA2 2205/4885
US-20020198219-A1 2-pyridinamine compositions and related methods AIFM1, CASP5, CASP2 IGF1R 3616/4885BRAF 4006/4885RPS6KA2 2205/4885

“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.