SCHEMBL3525890

SCHEMBL3525890

NCC(N)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 2/20 0.44
CHRNA7 P36544 1/20 0.44
KCNA5 P22460 5/20 0.42
CYP2A6 P11509 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
KCNN4 O15554 2/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL1515430 0.82 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1037866 0.82 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL27951336 0.82 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6855637 0.82 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL29669002 0.82 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11972418 0.82 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL3465672 0.82 SLC6A4 (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL11972446 0.82 SMN1; SMN2 (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6892984 0.81 CYP2A6 (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4196224 0.81 CFTR (0.57) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283964-A Pyrrolopyridine derivative, and pharmaceutical composition and application thereof 武汉睿健医药科技有限公司 2023-06-23 CN disclosed
CN-115948325-A Inducer for inducing transformation and reprogramming of mesenchymal cells to epithelial cells 武汉睿健医药科技有限公司 2023-04-11 CN disclosed
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US disclosed
CN-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 US disclosed
US-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 US disclosed
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 EP disclosed
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1678180-A1 SUBSTITUTED 2H- 1,2,4 TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS Pfizer Products Incorporated (US) 2006-07-12 EP disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2005035532-A1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZINES AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-21 WO disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US 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 (4 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP CFTR 3913/4885SLC6A2 4036/4885SLC6A4 3845/4885
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 CFTR 4093/4885SLC6A2 4689/4885SLC6A4 4729/4885
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 CFTR 1254/4885SLC6A2 936/4885SLC6A4 564/4885
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CFTR 1305/4885SLC6A2 4763/4885SLC6A4 4442/4885

“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.