SCHEMBL4900802

SCHEMBL4900802

O=C(CCl)Nc1ccc(Nc2nccc(-c3ccncc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.60
JAK2 O60674 10/20 0.57
HDAC1 Q13547 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
JAK3 P52333 3/20 0.57
KIT P10721 1/20 0.55
PDGFRA P16234 1/20 0.55
IKBKB O14920 4/20 0.54
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
JAK1 P23458 2/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
SRC P12931 1/20 0.50
TYK2 P29597 1/20 0.49
CHUK O15111 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49

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
SCHEMBL4895446 0.88 ABL1 (0.63) CAMK2DJAK2HDAC1HDAC6KIT
SCHEMBL4903441 0.88 PDGFRA (0.69) JAK2HDAC1HDAC6JAK3KIT
SCHEMBL7470447 0.84 JAK2 (0.79) CAMK2DJAK2HDAC1HDAC6JAK3
SCHEMBL4905591 0.83 PDGFRA (0.64) CAMK2DJAK2HDAC1JAK3KIT
SCHEMBL4901743 0.81 JAK2 (0.54) JAK2HDAC1HDAC6JAK3KIT
SCHEMBL4905540 0.81 ABL1 (0.62) CAMK2DJAK2HDAC1JAK3PDGFRA
SCHEMBL7464657 0.80 CAMK2D (0.90) CAMK2DJAK2JAK3IKBKBMAPK8
SCHEMBL4905329 0.80 JAK2 (0.68) CAMK2DJAK2HDAC1HDAC6JAK3
SCHEMBL4379953 0.80 JAK2 (0.79) CAMK2DJAK2HDAC1HDAC6JAK3
SCHEMBL4903416 0.80 JAK2 (0.62) JAK2HDAC1HDAC6JAK3KIT

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-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP CAMK2D 3611/4885JAK2 1695/4885HDAC1 4522/4885

“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.