SCHEMBL2338985

SCHEMBL2338985

CCN(CC)c1nc2c(c(-c3ccsc3)n1)CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.58
▸ HTR2A P28223 15/20 0.58
▸ HTR2B P41595 15/20 0.58
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ WNT3A P56704 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33

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
Hydrochloric Acid SCHEMBL2336643 0.99 HTR2C (0.57) HTR2CHTR2AHTR2BPDCD1CD274
SCHEMBL2341907 0.84 HTR2C (0.65) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL2340227 0.83 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL2339512 0.81 HTR2A (0.84) HTR2CHTR2AHTR2B
SCHEMBL7922016 0.81 HTR2A (0.67) HTR2CHTR2AHTR2B
SCHEMBL2342239 0.81 HTR2A (0.67) HTR2CHTR2AHTR2B
SCHEMBL2339264 0.81 HTR2A (0.67) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL2339143 0.81 HTR2A (0.82) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL2342793 0.80 HTR2A (0.65) HTR2CHTR2AHTR2B
SCHEMBL2346213 0.79 HTR2C (0.64) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 — — US claimed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 — — WO 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

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 HTR2C 6/4885HTR2A 1/4885HTR2B 8/4885

“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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