SCHEMBL6456004

SCHEMBL6456004

Cc1nc(N(C)C)nc(N)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP1A2 P05177 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
SMARCA2 P51531 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
IDO1 P14902 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL14297683 0.82 LMNA (0.59) LMNACYP1A2THRBBLMCREBBP
SCHEMBL11460831 0.77 PDE10A (0.50) LMNACYP1A2THRBBLMCREBBP
SCHEMBL10752491 0.77 LMNA (0.53) LMNACYP1A2THRBBLMCREBBP
Hydrochloric Acid SCHEMBL11468086 0.76 LMNA (0.40) LMNACYP1A2THRBBLMCREBBP
Hydrochloric Acid SCHEMBL11465534 0.74 LMNA (0.39) LMNACYP1A2THRBBLMCREBBP
SCHEMBL2775326 0.74 LMNA (0.39) LMNACYP1A2THRBBLMCREBBP
SCHEMBL127126 0.74 LMNA (0.56) LMNACYP1A2THRBBLMCREBBP
SCHEMBL13647010 0.73 LMNA (0.48) LMNACYP1A2THRBBLMCREBBP
SCHEMBL11320484 0.71 LMNA (0.46) LMNACYP1A2THRBBLMCREBBP
SCHEMBL1423315 0.71 LMNA (0.46) LMNACYP1A2THRBBLMCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114957135-A Application of azo pyrimidine compound 河北农业大学 2022-08-30 CN disclosed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 LMNA 3391/4885CYP1A2 304/4885THRB 260/4885

“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.