SCHEMBL1786801

SCHEMBL1786801

CCc1ccc(-c2c(I)oc3ncnc(Cl)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.35
AURKB Q96GD4 4/20 0.35
NOTUM Q6P988 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
UBE2N P61088 1/20 0.35
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
PDGFRB P09619 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL2975737 0.81 TNK2 (0.47) AURKAKMT2AALDH1A1KDM4EMEN1
SCHEMBL1785983 0.81 TNK2 (0.54) AURKAAURKBKMT2AALDH1A1KDM4E
SCHEMBL1784897 0.76 AURKA (0.39) AURKAAURKBKMT2AALDH1A1KDM4E
SCHEMBL9052388 0.76 SMN1; SMN2 (0.40) NOTUMALDH1A1TSHRMAPK1EGFR
SCHEMBL1787392 0.74 NOTUM (0.42) NOTUMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2179662 0.73 KDR (0.48) AURKAAURKBKMT2AALDH1A1NPSR1
SCHEMBL14467241 0.66 TNK2 (0.56) AURKAKMT2AALDH1A1KDM4EMEN1
SCHEMBL1786166 0.66 TEK (0.71) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL735560 0.65 TNK2 (0.68) AURKAKMT2AALDH1A1KDM4EMEN1
SCHEMBL3051089 0.62 TNK2 (0.45) AURKAAURKBKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 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 (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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT AURKA 3192/4885AURKB 1321/4885NOTUM 2303/4885

“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.