SCHEMBL2336671

SCHEMBL2336671

CCN(CC)c1nc2c(c(-c3ccc(F)cc3)n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM2 Q14416 3/20 0.44
CLPP Q16740 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRA2 P47869 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2341888 0.91 HTR2A (0.53) CLPPGABRA1GABRA2HTR2AHTR2C
SCHEMBL7907888 0.90 KMT2A (0.44) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL2341806 0.88 CLPP (0.46) CLPPGABRA1GABRA2HTR2AHTR2C
SCHEMBL2333354 0.87 KDM4E (0.45) NPSR1TDP1CLPPHTR2AHTR2C
SCHEMBL2334932 0.84 C5AR1 (0.43) NPSR1GRM2CLPPALDH1A1
SCHEMBL183735 0.81 HTR2A (0.55) GRM2CLPPGABRA1GABRA2HTR2A
SCHEMBL300664 0.81 HTR2A (0.64) GRM2CLPPGABRA1GABRA2HTR2A
Hydrochloric Acid SCHEMBL183260 0.80 HTR2A (0.62) GRM2CLPPGABRA1GABRA2HTR2A
SCHEMBL2343594 0.78 NPSR1 (0.47) NPSR1TDP1GRM2CLPPGABRA1
SCHEMBL2341472 0.75 C5AR1 (0.43) GRM2CLPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US claimed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO disclosed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 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 (1 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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A NPSR1 43/4885TDP1 546/4885GRM2 46/4885

“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.