SCHEMBL12714525

SCHEMBL12714525

CN1C(=O)[C@@H]2CCCN2C(=O)c2c(N)cccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR1A P08908 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL12715433 0.88 SMN1; SMN2 (0.45) HTR2BSMN1; SMN2POLBKMT2AKDM4E
SCHEMBL7580646 0.78 POLB (0.56) HTR1ASMN1; SMN2POLBKMT2AKDM4E
SCHEMBL14288831 0.74 POLB (0.58) POLBKDM4EALDH1A1GAAMAPT
SCHEMBL12714645 0.73 HTR2B (0.43) TMEM97HTR2BKMT2AKDM4EHTR2A
SCHEMBL7270276 0.72 ALDH1A1 (0.58) TMEM97HTR2BSMN1; SMN2KMT2AKDM4E
SCHEMBL7263577 0.70 GABRG2 (0.45) TMEM97HTR2BPOLBKMT2AHTR2A
SCHEMBL11860611 0.69 KMT2A (0.45) HTR2BSMN1; SMN2POLBKMT2AKDM4E
SCHEMBL22940159 0.69 CRBN (0.61) TMEM97HTR2BHTR1APOLBKMT2A
SCHEMBL5666976 0.69 CDK4 (0.51) TMEM97HTR2B
SCHEMBL11782432 0.68 DDB1 (0.40) POLBKMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP TMEM97 4454/4885HTR2B 3945/4885HTR1A 1730/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP TMEM97 4454/4885HTR2B 3945/4885HTR1A 1730/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP TMEM97 4454/4885HTR2B 3945/4885HTR1A 1730/4885

“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.

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