SCHEMBL2812175

SCHEMBL2812175

CCN(CC)Cc1cnc(N)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
EPHX2 P34913 1/20 0.42
NOS1 P29475 1/20 0.42
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRKCI P41743 1/20 0.34
ACHE P22303 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5875588 0.87 PSEN1 (0.41) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL5875748 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL2173473 0.80 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBMAPTTHRB
Hydrochloric Acid SCHEMBL308079 0.78 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL10889356 0.78 SLC6A3 (0.37) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL232903 0.77
SCHEMBL3188740 0.74
SCHEMBL10126252 0.73
SCHEMBL2818716 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1POLBMAPTTHRB
SCHEMBL3536369 0.70

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
CN-101389622-B Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG 2013-04-17 CN disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
CN-101389622-A Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2009-03-18 CN disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB SMN1; SMN2 3106/4885ALDH1A1 4134/4885POLB 646/4885
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 SMN1; SMN2 3745/4885ALDH1A1 575/4885POLB 4746/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB SMN1; SMN2 2964/4885ALDH1A1 4040/4885POLB 657/4885

“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.