SCHEMBL3270929

SCHEMBL3270929

Clc1cncc(OCC2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.37
KDM4C Q9H3R0 1/20 0.36
CDK2 P24941 4/20 0.36
CHUK O15111 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MCHR1 Q99705 2/20 0.35
EP300 Q09472 6/20 0.35
CCNA2 P20248 3/20 0.35
CCNA1 P78396 3/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB2 O95067 1/20 0.34
MAPK3 P27361 1/20 0.34
CLK1 P49759 1/20 0.34
CDK5 Q00535 1/20 0.34
PIN1 Q13526 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
MAP3K5 Q99683 1/20 0.34
RHEB Q15382 1/20 0.34

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
SCHEMBL4445675 0.93 FFAR4 (0.39) KDM1ACDK2CHUKFFAR4EP300
SCHEMBL31080672 0.86 ATXN2 (0.41) KDM1AFFAR4EP300
SCHEMBL7209219 0.77 IDO1 (0.37) CDK2MCHR1CCNA2CCNA1CDK1
SCHEMBL31080336 0.76 PDCD1 (0.40) KDM1AEP300
SCHEMBL19510571 0.74 PDGFRB (0.43) KDM4CCDK2FFAR4
SCHEMBL30338856 0.74 KDM4C (0.42) KDM4CCDK2CHUKCCNA2CCNA1
SCHEMBL30350762 0.73 MCHR1 (0.48) KDM1ACDK2FFAR4MCHR1CCNA2
SCHEMBL19510612 0.73 MCHR1 (0.48) KDM1ACDK2FFAR4MCHR1CCNA2
SCHEMBL31080120 0.73 FEN1 (0.47) KDM1A
SCHEMBL3509188 0.73 SIGMAR1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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 (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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM1A 1412/4885KDM4C 2201/4885CDK2 602/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM1A 1412/4885KDM4C 2201/4885CDK2 602/4885

“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.