SCHEMBL3142025

SCHEMBL3142025

COc1cc(-c2cc(Nc3ccc(Oc4ccnc(C#N)c4)cc3)nc(N)n2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AGPAT2 O15120 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL3140989 0.92 AGPAT2 (0.45) AGPAT2KDM4EHPGDNPSR1MAPT
SCHEMBL13413991 0.91 IKBKB (0.43) AGPAT2JAK2HPGDNPSR1MAPT
SCHEMBL3141970 0.89 AGPAT2 (0.45) AGPAT2HPGDNPSR1MAPTKMT2A
SCHEMBL13413990 0.89 MAPT (0.41) AGPAT2HPGDNPSR1MAPTKMT2A
SCHEMBL13414012 0.88 RAB9A (0.49) ADORA1AGPAT2KDM4EHPGDNPSR1
SCHEMBL3146198 0.87 KMT2A (0.41) KDRAGPAT2HPGDNPSR1MAPT
SCHEMBL13414016 0.86 AGPAT2 (0.42) KDRAGPAT2KMT2AKCNH2SCN9A
SCHEMBL13414023 0.86 SCN9A (0.44) KDRAGPAT2MAPTKMT2ARAB9A
Trifluoroacetic Acid SCHEMBL3150208 0.85 KDR (0.41) KDRAGPAT2JAK2HPGDNPSR1
SCHEMBL3150724 0.85 KDM4E (0.42) AGPAT2KDM4EJAK2JAK3HPGD

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 9 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-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 ADORA2A 809/4885ADORA1 1231/4885KDR 1618/4885
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 ADORA2A 762/4885ADORA1 1106/4885KDR 3725/4885
US-20050277640-A1 Pyrimidine derivatives for treatment of hyperproliferative disorders TYMP, DPYD, CCNA2 ADORA2A 809/4885ADORA1 1231/4885KDR 1618/4885

“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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