SCHEMBL7229796

SCHEMBL7229796

COC(=O)c1ccc(-c2ccnc(C#N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.68
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
EGFR P00533 1/20 0.46
ERN1 O75460 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGFBR1 P36897 1/20 0.44
SLC2A1 P11166 1/20 0.42

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
SCHEMBL3415402 0.86 MYC (0.53) MYCKDM4ECA1CA2CA12
SCHEMBL2224335 0.83 KDM4E (0.55) MYCKDM4EALDH1A1CA1CA2
SCHEMBL29551721 0.83 KDM4E (0.55) MYCKDM4EALDH1A1CA1CA2
SCHEMBL17386399 0.80 KDM4E (0.59) KDM4EALDH1A1CA1CA2CA12
SCHEMBL5548208 0.80 KDM4E (0.45) MYCKDM4EALDH1A1CA1CA2
SCHEMBL1169047 0.79 PTPN1 (0.50) MYCKDM4EALDH1A1CA1CA2
SCHEMBL1492671 0.79 DYRK1A (0.58) KDM4EALDH1A1CA1CA2CA12
SCHEMBL16509472 0.78 MYC (0.45) MYCKDM4EALDH1A1MAPTNPC1
SCHEMBL23380278 0.78 KDM4E (0.51) KDM4EALDH1A1CA1CA2CA12
Hydrochloric Acid SCHEMBL5548061 0.78 DYRK1A (0.57) KDM4EALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
CN-1333766-A Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds as factor xainhibitors AVENTIS PHARM PROD INC (US) 2002-01-30 CN disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 MYC 4182/4885KDM4E 1571/4885ALDH1A1 2804/4885

“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.