SCHEMBL7225859

SCHEMBL7225859

N=C(N)c1c[nH]c2ccc(CCNC(=O)c3ccc(-c4cccnc4)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.54
PRSS1 P07477 1/20 0.54
CDK4 P11802 2/20 0.54
CCND1 P24385 2/20 0.54
SNCA P37840 3/20 0.51
NR4A2 P43354 1/20 0.50
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HAT1 O14929 4/20 0.46
EP300 Q09472 4/20 0.46
PTAFR P25105 3/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7231033 0.92 SNCA (0.45) F10PRSS1CDK4CCND1SNCA
SCHEMBL7225358 0.91 SNCA (0.52) F10PRSS1CDK4CCND1SNCA
SCHEMBL7222857 0.89 SNCA (0.43) F10PRSS1CDK4CCND1SNCA
SCHEMBL7224324 0.88 CDK4 (0.47) F10CDK4CCND1SNCAKMT2A
SCHEMBL7223277 0.86 F10 (0.52) F10CDK4CCND1SNCAMEN1
SCHEMBL7225219 0.85 F10 (0.56) F10PRSS1CDK4CCND1SNCA
SCHEMBL7229477 0.85 F10 (0.47) F10PRSS1CDK4CCND1SNCA
SCHEMBL7222317 0.85 SNCA (0.44) F10PRSS1CDK4CCND1SNCA
SCHEMBL7226556 0.84 TRPV1 (0.47) CDK4CCND1SNCAKMT2ATRPV1
SCHEMBL7224360 0.84 KMT2A (0.47) F10CDK4CCND1SNCAMEN1

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 8 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 claimed
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 claimed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed
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
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 F10 7/4885PRSS1 193/4885CDK4 3673/4885

“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.