SCHEMBL5828151

SCHEMBL5828151

Clc1nc(NCc2ccc(-c3ccccc3)cc2)c2[nH]cnc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
USP1 O94782 2/20 0.62
WDR48 Q8TAF3 2/20 0.62
CDK1 P06493 2/20 0.62
PDE4A P27815 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
STAT3 P40763 1/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55
CDK2 P24941 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 1/20 0.52
XDH P47989 1/20 0.51

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
SCHEMBL1216378 0.92 TMIGD3 (0.77) TMIGD3HTR2CHTR2BCDK1PDE4A
SCHEMBL3646116 0.87 TMIGD3 (0.60) TMIGD3HTR2CHTR2BUSP1WDR48
SCHEMBL5828185 0.87 TMIGD3 (0.73) TMIGD3HTR2CHTR2BCDK1PDE4A
SCHEMBL5827851 0.81 MAPT (0.78) TMIGD3HTR2CHTR2BCDK1PDE4A
SCHEMBL6780917 0.81 CDK1 (0.48) TMIGD3HTR2CHTR2BUSP1WDR48
SCHEMBL27587358 0.81 LMNA (0.84) USP1WDR48CDK1PDE4APDE4B
SCHEMBL5828130 0.78 USP1 (0.66) TMIGD3HTR2CHTR2BUSP1WDR48
SCHEMBL27605320 0.78 TMIGD3 (0.78) TMIGD3HTR2CHTR2BCDK1PDE4A
SCHEMBL7075107 0.78 TMIGD3 (0.78) TMIGD3HTR2CHTR2BCDK1PDE4A
SCHEMBL29501834 0.78 TMIGD3 (0.78) TMIGD3HTR2CHTR2BCDK1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US disclosed
EP-1150982-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha CV THERAPEUTICS INC (US) 2005-10-12 EP disclosed
EP-1021186-B1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2005-06-29 EP disclosed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US disclosed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 US disclosed
CN-1161356-C Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV���ƹ�˾ 2004-08-11 CN disclosed
CN-1353713-A Purine inhibitors of cyclin dependent kinase 2 and IK B-alpha CV THERAPEUTICS INC (US) 2002-06-12 CN disclosed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa LUM ROBERT T (US) 2002-03-21 US disclosed
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CV THERAPEUTICS, INC. 2002-03-14 US disclosed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP disclosed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO disclosed
EP-1021186-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS, INC. (US) 2000-07-26 EP disclosed
EP-1021186-A4 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha CV THERAPEUTICS INC (US) 2000-07-26 EP disclosed
CN-1231611-A Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' CV THERAPEUTIC INC (US) 1999-10-13 CN disclosed
WO-1998005335-A9 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) 1998-05-28 WO disclosed
WO-1998005335-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) CV THERAPEUTICS, INC. (US) 1998-02-12 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-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 TMIGD3 4379/4885HTR2C 909/4885HTR2B 566/4885
US-20020032327-A1 Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha CDKN1A, CCNK, CDK1 TMIGD3 4269/4885HTR2C 3362/4885HTR2B 2939/4885
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 & IkBa AURKB, CDKN1A, IKBKB TMIGD3 4191/4885HTR2C 3776/4885HTR2B 1885/4885

“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.