SCHEMBL13162840

SCHEMBL13162840

CN1CCC(Nc2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.56
IKBKB O14920 1/20 0.55
RET P07949 1/20 0.53
HRH4 Q9H3N8 2/20 0.51
DRD2 P14416 8/20 0.49
DRD3 P35462 8/20 0.49
POLB P06746 1/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
CCND3 P30281 2/20 0.46
CDK6 Q00534 2/20 0.46
IDH2 P48735 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
SCHEMBL26830431 0.81 MAPK1 (0.62) MAPK1IKBKBHRH4POLBCDK4
SCHEMBL246119 0.81 KDM4E (0.78) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL22421754 0.81 KDM4E (0.60) KDM4EGAAMAPK1RETHRH4
SCHEMBL2950329 0.80 HDAC1 (0.47) MAPK1IKBKBHRH4POLBCDK4
SCHEMBL11465979 0.80 KDM4E (0.55) KDM4EGAAMAPK1DRD2DRD3
SCHEMBL12440506 0.80 NOS2 (0.62) IKBKBRETHRH4DRD2DRD3
SCHEMBL12367075 0.80 IKBKB (0.61) IKBKBRETHRH4POLBCDK4
Hydrochloric Acid SCHEMBL1936751 0.79 KDM4E (0.75) KDM4EGAAMAPK1DRD2DRD3
Hydrochloric Acid SCHEMBL27710837 0.79 NOS2 (0.60) IKBKBRETHRH4DRD2DRD3
SCHEMBL29660556 0.78 IKBKB (0.60) KDM4EGAAMAPK1IKBKBCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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 (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-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BCL6, BCL6B, BCOR KDM4E 205/4885GAA 3443/4885MAPK1 2119/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR KDM4E 195/4885GAA 3336/4885MAPK1 2133/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 KDM4E 1395/4885GAA 4334/4885MAPK1 307/4885

“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.