SCHEMBL3570180

SCHEMBL3570180

CN1CCN=C1c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA4 P22748 8/20 0.40
CA7 P43166 8/20 0.40
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
PTGS2 P35354 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ADRA2C P18825 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 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
Hydrochloric Acid SCHEMBL6766285 0.98 TOP2A (0.41) KEAP1CA1CA2CA4CA7
SCHEMBL14085132 0.90 TOP2A (0.44) CA1CA2CA4CA7TOP2A
SCHEMBL8286902 0.82 PTAFR (0.46) CA1CA2CA4CA7TOP2A
SCHEMBL122260 0.80 ADORA3 (0.46) CA1CA2CA4CA7PTGS2
Water SCHEMBL9451273 0.79 PTAFR (0.43) TOP2ATOP2BESR2
Water SCHEMBL9451270 0.79 PTAFR (0.43) TOP2ATOP2BESR2
Hydrochloric Acid SCHEMBL11550801 0.79 MEN1 (0.42) CA1CA2CA4CA7TOP2A
SCHEMBL23080997 0.78 PTAFR (0.49) TOP2ATOP2BKDM4EALDH1A1ADRA2C
SCHEMBL5502730 0.77 TOP2A (0.36) TOP2ATOP2BPTGS2
SCHEMBL6871687 0.77 ALDH1A1 (0.42) CA1CA2CA4CA7TOP2A

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-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2006055951-A2 TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 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 (2 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 KEAP1 2162/4885CA1 351/4885CA2 1278/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 KEAP1 3345/4885CA1 204/4885CA2 458/4885

“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.