SCHEMBL16702263

SCHEMBL16702263

C=CC(=O)N(CCn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.66
PIK3C2B O00750 7/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
JAK3 P52333 1/20 0.54
BTK Q06187 1/20 0.54
ITK Q08881 1/20 0.54
PIK3CG P48736 9/20 0.52
FGFR1 P11362 1/20 0.51
FGFR4 P22455 1/20 0.51

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
SCHEMBL16701615 0.94 PIK3CD (0.69) PIK3CDPIK3C2BEGFRLCKJAK3
SCHEMBL16701507 0.92 PIK3CD (0.77) PIK3CDPIK3C2BEGFRLCKJAK3
SCHEMBL18065753 0.91 PIK3CD (0.62) PIK3CDPIK3C2BEGFRLCKJAK3
SCHEMBL16701907 0.91 PIK3CD (0.62) PIK3CDPIK3C2BEGFRLCKJAK3
SCHEMBL16701651 0.91 PIK3CD (0.60) PIK3CDPIK3C2BEGFRLCKJAK3
SCHEMBL16701794 0.89 PIK3CD (0.61) PIK3CDEGFRLCKJAK3BTK
SCHEMBL16701807 0.89 PIK3CD (0.60) PIK3CDEGFRLCKJAK3BTK
SCHEMBL16702425 0.88 BTK (0.63) PIK3CDEGFRLCKJAK3BTK
SCHEMBL16701877 0.88 PIK3CD (0.61) PIK3CDPIK3C2BPIK3CG
SCHEMBL16701712 0.88 PIK3CD (0.59) PIK3CDEGFRLCKJAK3BTK

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
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US claimed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO claimed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 WO 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3C2B 5/4885EGFR 828/4885

“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.