SCHEMBL6696074

SCHEMBL6696074

N#Cc1cc(-n2cccn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
GRM5 P41594 5/20 0.46
KAT6A Q92794 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
PDK2 Q15119 1/20 0.40
SCN9A Q15858 2/20 0.38
NR3C1 P04150 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM4 Q14833 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
FLT3 P36888 1/20 0.37
NLRP3 Q96P20 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6852366 0.88 GRM5 (0.46) NOTUMGRM5KAT6AKDM4EALDH1A1
SCHEMBL3103821 0.80 NOTUM (0.58) NOTUMGRM5KAT6AKDM4EALDH1A1
SCHEMBL3302913 0.78 GRM5 (0.46) NOTUMGRM5KDM4EALDH1A1MAPK1
SCHEMBL18865611 0.78 NOTUM (0.53) NOTUMGRM5ARKDM4EALDH1A1
SCHEMBL17594887 0.78 GRM5 (0.49) NOTUMGRM5KDM4EALDH1A1MAPK1
SCHEMBL31376000 0.78 NOTUM (0.45) NOTUMGRM5KDM4EALDH1A1MAPK1
SCHEMBL3639674 0.78 NOTUM (0.45) NOTUMGRM5KDM4EALDH1A1MAPK1
SCHEMBL7091332 0.78 SCN9A (0.52) ARSCN9A
SCHEMBL8397313 0.78 KDM4E (0.53) NOTUMGRM5KDM4EALDH1A1MAPK1
SCHEMBL3909664 0.78 ALDH1A1 (0.46) NOTUMGRM5KDM4EALDH1A1SCN9A

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-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
CN-1610679-A Efficient process for the preparation of a factor XA inhibitor BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-04-27 CN disclosed
US-20040198787-A1 Efficient process for the preparation of a factor Xa inhibitor LI HUI-YIN (US) 2004-10-07 US disclosed
US-6747158-B2 ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-08 US disclosed
US-6667332-B2 Benzisoxazolyl-pyrazole derivatives formed by salt formation with maleic acid and hydrochloric acid and cyclization with acetohydroxamic acid BRISTOL-MYERS SQUIBB COMPANY 2003-12-23 US disclosed
EP-1366045-A2 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR Bristol-Myers Squibb Pharma Company (US) 2003-12-03 EP disclosed
US-20030212117-A1 Efficient process for the preparation of a factor Xa inhibitor LI HUI-YIN (US) 2003-11-13 US disclosed
WO-2002024690-A3 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-25 WO disclosed
WO-2002024690-A8 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR DU PONT PHARM CO (US) 2002-08-08 WO disclosed
US-20020061917-A1 Efficient process for the preparation of a factor Xa inhibitor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-23 US disclosed
WO-2002024690-A2 EFFICIENT PROCESS FOR THE PREPARATION OF A FACTOR XA INHIBITOR BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-03-28 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 (3 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-20030212117-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 NOTUM 999/4885GRM5 4462/4885KAT6A 3259/4885
US-20040198787-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 NOTUM 999/4885GRM5 4462/4885KAT6A 3259/4885
US-20020061917-A1 Efficient process for the preparation of a factor Xa inhibitor TFPI, F11, F12 NOTUM 999/4885GRM5 4462/4885KAT6A 3259/4885

“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.