SCHEMBL7230459

SCHEMBL7230459

CCOC(=O)c1nnnn1-c1ccccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KCNN4 O15554 2/20 0.49
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8162436 0.78 TP53 (0.62) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL5376137 0.77 SMN1; SMN2 (0.39) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL3831656 0.76 ALDH1A1 (0.50) MAPTKDM4EALDH1A1TP53ALOX12
SCHEMBL26115350 0.76 KDM4E (0.45) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL16822007 0.74 KCNN4 (0.58) MAPTKCNN4KDM4EALDH1A1L3MBTL1
SCHEMBL3834925 0.73 KMT2A (0.47) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL21486440 0.72 MAPT (0.45) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL30332521 0.72 MAPT (0.45) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL6765900 0.72 KDM4E (0.53) MAPTMAPK1KDM4EALDH1A1TP53
SCHEMBL8163621 0.71 LMNA (0.49) MAPTMAPK1ALDH1A1TP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548525-B2 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 US disclosed
US-6271237-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 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-20020016326-A1 Nitrogen containing heteroaromatics with ortho-substituted P1's as factor Xa inhibitors F12, F11, F2 MAPT 4556/4885KCNN4 913/4885MAPK1 598/4885

“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.