SCHEMBL3768245

SCHEMBL3768245

O=c1[nH]c(=O)c2cc(N3CCCCC3)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.64
HSD17B10 Q99714 2/20 0.55
AR P10275 1/20 0.55
PDE3B Q13370 2/20 0.53
KIF11 P52732 5/20 0.52
IP6K1 Q92551 2/20 0.50
ERCC1 P07992 1/20 0.48
DNASE1 P24855 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
IP6K3 Q96PC2 1/20 0.48
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45

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
SCHEMBL7023134 0.98 PDE3A (0.62) PDE3AHSD17B10ARPDE3BKIF11
SCHEMBL7032407 0.86 PDE3A (0.50) PDE3AHSD17B10ARPDE3BCA12
SCHEMBL7026070 0.85 KIF11 (0.55) PDE3AKIF11CDK5CDK5R1ALDH1A1
SCHEMBL7029687 0.85 PDE3A (0.55) PDE3AHSD17B10PDE3BKIF11MEN1
SCHEMBL7024817 0.81 PDE3A (0.46) PDE3AHSD17B10ARPDE3BKIF11
SCHEMBL26133119 0.81 PDE3A (0.46) PDE3AHSD17B10ARKIF11CA12
SCHEMBL31296617 0.81 PDE3A (0.46) PDE3AHSD17B10ARKIF11CA12
SCHEMBL7029333 0.77 DRD4 (0.55) HSD17B10KIF11ALDH1A1MAPTKDM4E
SCHEMBL7025618 0.76 PDE3B (0.62) PDE3AHSD17B10PDE3BMEN1ALDH1A1
SCHEMBL7030503 0.74 KDM4E (0.50) PDE3AHSD17B10PDE3BCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
WO-2004037814-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-06 WO disclosed
EP-0878468-B1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
US-5994542-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-11-30 US disclosed
EP-0878468-A1 Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-18 EP disclosed
US-5756738-A Process for producing 1-substituted tetrahydroquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-26 US disclosed
EP-0129258-B1 IMIDAZOQUINAZOLINE COMPOUND DAIICHI SEIYAKU CO., LTD. (JP) 1987-09-23 EP disclosed
US-4596806-A 7-piperidino-1,2,3,5-tetrahydroimidazo[2,1-b]-quinazolin-2-one having platelet aggregation inhibitory activity DAIICHI SEIYAKU CO., LTD. (JP) 1986-06-24 US disclosed
EP-0129258-A1 Imidazoquinazoline compound DAIICHI SEIYAKU CO., LTD. (JP) 1984-12-27 EP 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 PDE3A 3468/4885HSD17B10 2598/4885AR 1155/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 PDE3A 3478/4885HSD17B10 2651/4885AR 1297/4885

“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.