SCHEMBL1889440

SCHEMBL1889440

CCCc1nc(C)c(Cc2ccccn2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.52
NR3C1 P04150 1/20 0.42
MBOAT4 Q96T53 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
POLB P06746 2/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 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
SCHEMBL1896796 0.81 ALDH1A1 (0.55) LMNASMN1; SMN2MAPTHTTPOLB
SCHEMBL12348887 0.72 HPGD (0.46) GLAKDM4CLMNAMAPK1TNKS2
SCHEMBL7974110 0.70 CNOT7 (0.47) GLAKDM4CLMNASMN1; SMN2HSD17B10
SCHEMBL1892647 0.70 IL4I1 (0.51) LMNAMAPK1HTTPOLBHSD17B10
SCHEMBL1895299 0.70 TP53 (0.78) KDM4CLMNAMAPK1TNKS2SMN1; SMN2
SCHEMBL9230396 0.68 AR (0.53) KDM4CLMNAMAPK1SMN1; SMN2MAPT
SCHEMBL22639867 0.68 GLA (1.00) GLALMNASMN1; SMN2MAPTHTT
SCHEMBL10873517 0.67 GLA (0.43) GLALMNAPOLBNPSR1TP53
SCHEMBL6933543 0.67 KDM4C (0.54) KDM4CTNKS2SMN1; SMN2HTTPARP1
Methylamine SCHEMBL4067487 0.67 HRH1 (0.63) LMNASMN1; SMN2MAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-29 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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 (6 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 GLA 4242/4885NR3C1 191/4885MBOAT4 2145/4885
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 GLA 4242/4885NR3C1 191/4885MBOAT4 2145/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 GLA 3088/4885NR3C1 10/4885MBOAT4 3494/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S GLA 4416/4885NR3C1 167/4885MBOAT4 2485/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 GLA 4242/4885NR3C1 191/4885MBOAT4 2145/4885
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 GLA 4242/4885NR3C1 191/4885MBOAT4 2145/4885

“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.