SCHEMBL3137696

SCHEMBL3137696

COc1ccc(-c2cc(Nc3ccc(Oc4ccnc(C(F)(F)F)c4)cc3)nc(N)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
RAB9A P51151 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DYRK1A Q13627 1/20 0.44
IKBKB O14920 2/20 0.43
SYK P43405 1/20 0.42
ACP1 P24666 1/20 0.42
AGPAT2 O15120 3/20 0.42

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
SCHEMBL3237520 0.92 KDM4E (0.45) KDM4ERAB9AMAPTPOLBTP53
SCHEMBL1643146 0.92 KDM4E (0.44) KDM4EHSD17B10SYKAGPAT2KCNH2
Hydrochloric Acid SCHEMBL3243638 0.91 KDM4E (0.43) KDM4EHSD17B10SYKAGPAT2KCNH2
SCHEMBL3235771 0.91 KDM4E (0.49) KDM4EAGPAT2KCNH2SCN9AROCK1
SCHEMBL3241573 0.91 SYK (0.47) KDM4ERAB9AMAPTGAAPOLB
SCHEMBL3132583 0.91 AGPAT2 (0.45) KDM4ERAB9AMAPTGAAPOLB
SCHEMBL3242638 0.90 AGPAT2 (0.52) KDM4EMAPTKMT2AHPGDTP53
SCHEMBL3242145 0.90 KCNH2 (0.49) KDM4EMAPTMAPK1AGPAT2KCNH2
SCHEMBL1643260 0.90 KDM4E (0.42) KDM4ESYKAGPAT2KCNH2SCN9A
SCHEMBL1642822 0.90 AGPAT2 (0.54) KDM4EMAPTKMT2AHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7678804-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER HEALTHCARE LLC (US) 2010-03-16 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
US-7582645-B2 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-01 US disclosed
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
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
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
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-15 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 (3 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-20100075967-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE DISORDERS TYMP, DPYD, CCNA2 KDM4E 2029/4885RAB9A 2850/4885MAPT 4585/4885
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 KDM4E 1063/4885RAB9A 3476/4885MAPT 4840/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 KDM4E 2029/4885RAB9A 2850/4885MAPT 4585/4885

“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.