SCHEMBL4285066

SCHEMBL4285066

NC1=NC(c2cc(Cl)ccc2Cl)=CC(N)(c2ccc3c(c2)OCO3)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
DYRK1A Q13627 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
SCN9A Q15858 1/20 0.34
MAP2K4 P45985 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP19A1 P11511 1/20 0.32
AR P10275 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
SCHEMBL4289214 0.87 MAPT (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4285201 0.80 HTR2B (0.35) ALDH1A1
SCHEMBL4285060 0.75 DYRK3 (0.36) DYRK3PIM1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4285023 0.72 SCN2A (0.33) SCN9A
SCHEMBL4291037 0.69 AGPAT2 (0.44) CYP3A4
SCHEMBL4282151 0.69 AGPAT2 (0.33) MAPT
SCHEMBL4282572 0.68 AGPAT2 (0.41) KMT2AMEN1CYP19A1ALDH1A1KDM4E
SCHEMBL4282211 0.68 HTR6 (0.32)
SCHEMBL4278355 0.67 AGPAT2 (0.46) ALDH1A1KDM4E
SCHEMBL4287050 0.66 AGPAT2 (0.33) MAPTALDH1A1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT DYRK3 3855/4885PIM1 2928/4885CSNK2A2 3918/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT DYRK3 4098/4885PIM1 2817/4885CSNK2A2 3497/4885

“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.