SCHEMBL3121109

SCHEMBL3121109

Cc1ccc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.45
▸ KCNH2 Q12809 5/20 0.45
▸ SCN5A Q14524 4/20 0.45
▸ AGPAT2 O15120 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL13414012 0.92 RAB9A (0.49) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL13414023 0.92 SCN9A (0.44) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL3117404 0.90 SCN9A (0.41) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL3119522 0.90 ROCK1 (0.45) SCN9AKCNH2SCN5AAGPAT2ROCK1
SCHEMBL3117362 0.90 AGPAT2 (0.56) SCN9AKCNH2SCN5AAGPAT2IKBKB
SCHEMBL13414016 0.90 AGPAT2 (0.42) SCN9AKCNH2SCN5AAGPAT2ROCK1
SCHEMBL1644554 0.90 AGPAT2 (0.55) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL3115406 0.89 AGPAT2 (0.43) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL3146439 0.89 ROCK1 (0.47) SCN9AKCNH2SCN5AAGPAT2MAPT
SCHEMBL3131471 0.89 SCN9A (0.47) SCN9AKCNH2SCN5AAGPAT2MAPT

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 SCN9A 4682/4885KCNH2 3838/4885SCN5A 4331/4885
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 SCN9A 4176/4885KCNH2 1502/4885SCN5A 3209/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 SCN9A 4682/4885KCNH2 3838/4885SCN5A 4331/4885

“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.

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