SCHEMBL2734216

SCHEMBL2734216

CNC1CCc2nc(C(C)C)nc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.59
▸ HTR2C P28335 14/20 0.59
▸ HTR2B P41595 14/20 0.59
▸ HRH2 P25021 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ HMGCR P04035 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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 SCHEMBL183526 0.99 HTR2A (0.58) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL10272958 0.91 HTR2A (0.59) HTR2AHTR2CHTR2BHRH2HRH3
Hydrochloric Acid SCHEMBL183334 0.89 HTR2A (0.58) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL3406941 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL300649 0.80 HTR2A (0.58) HTR2AHTR2CHTR2BHRH2HRH3
Hydrochloric Acid SCHEMBL183525 0.79 HTR2A (0.57) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL183610 0.77 HTR2A (0.75) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL3410880 0.76 HTR2A (0.62) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL183820 0.76 HTR2A (0.62) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL183788 0.76 HTR2A (0.58) HTR2AHTR2CHTR2BHRH2HRH3

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
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 — — EP disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 — — US disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 — — US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 — — US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 — — US disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — WO disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 — — US disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 — — 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 (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-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2A 4/4885HTR2C 11/4885HTR2B 10/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2A 4/4885HTR2C 11/4885HTR2B 10/4885

“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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