SCHEMBL548321

SCHEMBL548321

Nc1ncc(-c2ccccc2-c2ncco2)c(N)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ HPGDS O60760 1/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ FGFR1 P11362 1/20 0.35

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
SCHEMBL4472861 0.80 DHFR (0.49) DHFRPIN1HPGDSADORA2AADORA1
SCHEMBL29430388 0.80 DHFR (0.49) DHFRPIN1HPGDSADORA2AADORA1
SCHEMBL4468439 0.78 DHFR (0.57) DHFRHPGDSADORA2AADORA1FGFR1
SCHEMBL29430444 0.78 DHFR (0.57) DHFRHPGDSADORA2AADORA1FGFR1
SCHEMBL1919495 0.78 HPGDS (0.52) PIN1HPGDSBRD4ADORA2AADORA1
SCHEMBL27613072 0.74 DHFR (0.59) DHFRADORA2AADORA1FGFR1
SCHEMBL4904620 0.73 ALDH1A1 (0.46) PIN1HPGDSBRD4ADORA2AADORA1
SCHEMBL7256620 0.72 BRD4 (0.39) PIN1HPGDSBRD4ADORA2AADORA1
SCHEMBL30792106 0.72 MAP4K4 (0.44) PIN1HPGDSBRD4ADORA2AADORA1
SCHEMBL4431582 0.71 BRD4 (0.48) PIN1HPGDSBRD4LTA4HKDM4E

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2020-05-19 — — US disclosed
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2018-10-18 — — US disclosed
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2016-01-21 — — US disclosed
US-9181188-B2 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2015-11-10 — — US disclosed
US-8618141-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE LLC (US) 2013-12-31 — — US disclosed
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-11-15 — — US disclosed
US-8242147-B2 Aryl ureas with angiogenisis inhibiting activity BAYER HEALTHCARE LLC (US) 2012-08-14 — — US disclosed
EP-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 — — EP disclosed
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS DUMAS JACQUES (US) 2012-05-31 — — US disclosed
EP-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 — — EP disclosed
EP-1478358-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Pharmaceuticals Corporation (US) 2004-11-24 — — EP disclosed
EP-1467736-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2004-10-20 — — EP disclosed
US-20030216396-A1 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors BAYER CORPORATION 2003-11-20 — — US disclosed
US-20030216446-A1 Aryl ureas as kinase inhibitors BAYER CORPORATION (US) 2003-11-20 — — US disclosed
US-20030207870-A1 Aryl ureas with angiogenisis inhibiting activity BAYER CORPORATION 2003-11-06 — — US disclosed
WO-2003068228-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 — — WO disclosed
WO-2003068229-A1 PYRIDINE, QUINOLINE, AND ISOQUINOLINE N-OXIDES AS KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-08-21 — — WO disclosed
WO-2003059354-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 — — WO disclosed
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 — — WO disclosed
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 — — 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 (8 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-20030207870-A1 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR DHFR 2323/4885PIN1 827/4885HPGDS 193/4885
US-20180296541-A9 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR DHFR 2323/4885PIN1 827/4885HPGDS 193/4885
US-20030216396-A1 Pyridine, quinoline, and isoquinoline N-oxides as kinase inhibitors MAP2K2, MAP2K7, MAPK1 DHFR 1878/4885PIN1 527/4885HPGDS 588/4885
US-10653684-B2 Aryl ureas with angiogenisis inhibiting activity FLT1, FLT4, KDR DHFR 2323/4885PIN1 827/4885HPGDS 193/4885
US-20030216446-A1 Aryl ureas as kinase inhibitors MAPK1, MAP3K1, MAP3K6 DHFR 2214/4885PIN1 560/4885HPGDS 196/4885
US-20120289552-A1 ARYL UREAS WITH ANGIOGENESIS INHIBITING ACTIVITY FLT4, FLT1, KDR DHFR 1591/4885PIN1 720/4885HPGDS 269/4885
US-20160015697-A1 ARYL UREAS WITH ANGIOGENISIS INHIBITING ACTIVITY FLT1, FLT4, KDR DHFR 2323/4885PIN1 827/4885HPGDS 193/4885
US-20120136157-A1 ARYL UREAS AS KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 DHFR 2214/4885PIN1 560/4885HPGDS 196/4885

“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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