SCHEMBL4284966

SCHEMBL4284966

NC1=NC(N)(c2ccccc2Cl)C=CN1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTR5A P47898 5/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR3A P46098 1/20 0.31
HDAC4 P56524 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL2912027 0.75 MPO (0.33) HTR5A
SCHEMBL884890 0.75 KDM1A (0.39) HTR7
SCHEMBL886112 0.72 MAPK1 (0.38)
SCHEMBL4284969 0.65 TAAR1 (0.35) TAAR1HTR5ACRHBPCRHR2TSHR
SCHEMBL4278345 0.64 MAOA (0.37)
SCHEMBL4238081 0.63 BACE1 (0.59) TAAR1HTR5ACRHBPCRHR2TSHR
SCHEMBL5067771 0.63 TAAR1 (0.43) TAAR1HTR5ATSHRHTR1AHTR1D
SCHEMBL14656047 0.62 TAAR1 (0.35) TAAR1HTR5ACRHBPCRHR2HTR1A
SCHEMBL3984810 0.62 L3MBTL1 (0.40)
SCHEMBL1604324 0.59 HDAC4 (0.43) TAAR1TSHRHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT TAAR1 3403/4885HTR5A 3611/4885CRHBP 4556/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT TAAR1 3045/4885HTR5A 3618/4885CRHBP 4530/4885

“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.