SCHEMBL2175708

SCHEMBL2175708

COc1cc2c(Sc3ccc(N)s3)ccnc2cc1OCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.44
ATM Q13315 1/20 0.43
EHMT2 Q96KQ7 5/20 0.42
EHMT1 Q9H9B1 5/20 0.42
EGFR P00533 3/20 0.41
AXL P30530 2/20 0.40
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
PDGFRA P16234 1/20 0.39
KDR P35968 1/20 0.39
FYN P06241 1/20 0.36
IGF1R P08069 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 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
SCHEMBL1893303 0.90 EGFR (0.43) PDPK1EHMT2EHMT1EGFRPDGFRA
SCHEMBL1890551 0.87 PDGFRA (0.47) EHMT2EHMT1EGFRPDGFRAKDR
SCHEMBL14540560 0.79 KDM1A (0.40) PDPK1ATMEHMT2EHMT1EGFR
SCHEMBL1891121 0.78 KDR (0.51) AXLPDGFRAKDR
SCHEMBL12501860 0.77 EGFR (0.41) EHMT2EHMT1EGFRPDGFRAKDR
SCHEMBL2175715 0.76 PDPK1 (0.43) PDPK1ATMEHMT2EHMT1EGFR
SCHEMBL1894704 0.76 KDR (0.46) AXLRETKIF5BPDGFRAKDR
SCHEMBL1894465 0.75 EGFR (0.40) EGFRPDGFRAKDR
SCHEMBL1894833 0.74 SRC (0.36) EGFRKDR
SCHEMBL12663460 0.72 ICAM1 (0.33) PDGFRAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-7253286-B2 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI CO., LTD (JP) 2007-08-07 US disclosed
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-11-02 US disclosed
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-07-20 US disclosed
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-03-18 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 (4 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-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 PDPK1 4657/4885ATM 1359/4885EHMT2 1107/4885
US-20040053908-A1 Urea derivatives containing aromatic or heteroaromatic rings, useful as prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective VEGFA, UACA, UTS2R PDPK1 4756/4885ATM 3298/4885EHMT2 1691/4885
US-20060247259-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG PDPK1 4776/4885ATM 3399/4885EHMT2 1800/4885
US-20060160832-A1 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective UGGT1, FLT1, GCG PDPK1 4776/4885ATM 3399/4885EHMT2 1800/4885

“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.