SCHEMBL4239237

SCHEMBL4239237

CC(N)c1cc(Oc2ccc(-c3c(N)nc(N)nc3-c3ccccc3)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.41
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
BTK Q06187 1/20 0.39
DHFR P00374 1/20 0.37
HEXA P06865 1/20 0.37
HEXB P07686 1/20 0.37

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
SCHEMBL1643667 0.85 TNK2 (0.44) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1643134 0.85 SCN9A (0.43) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1643965 0.83 ADORA2A (0.48) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1644360 0.83 DHFR (0.45) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1643628 0.82 ADORA2A (0.39) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1642908 0.81 SCN9A (0.40) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL4239244 0.80 SCN9A (0.41) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL3123762 0.79 MEN1 (0.39) TNK2ADORA2AADORA1SCN9AMEN1
SCHEMBL1644859 0.79 ADORA2A (0.59) TNK2ADORA2AADORA1SCN9AALDH1A1
SCHEMBL3118642 0.78 MEN1 (0.54) TNK2ADORA2AADORA1SCN9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
US-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-24 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 (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-20070117817-A1 4-{3-[(2-Amino-6-phenylpyrimidin-4-yl)amino]phenoxy}-N-methylpyridine-2-carboxamide;anticarcinogenic agents; breast cancer; antitumor agents; respiratory system disorders; urogenital disorders; gastrointestinal disorders; skin disorders; glandular disorders; lymphomas; leukemia; cytolysis CCNA2, MALT1, TPD52L2 TNK2 3152/4885ADORA2A 762/4885ADORA1 1106/4885

“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.