SCHEMBL503956

SCHEMBL503956

Cc1oc(-c2ccc3ccccc3c2)nc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KDM4E B2RXH2 2/20 0.46
NOTUM Q6P988 1/20 0.43
UTRN P46939 3/20 0.43
AHR P35869 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5574239 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL1051303 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL4885518 0.82 ALDH1A1 (0.49) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL6776092 0.82 KDM4E (0.64) HPGDMEN1KMT2AKDM4EPPARG
SCHEMBL4924238 0.79 ALDH1A1 (0.47) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL2705773 0.79 TP53 (0.49) ALDH1A1SMN1; SMN2HSD17B10HPGDTSHR
SCHEMBL16072944 0.79 CYP1A2 (0.58) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
Hydrochloric Acid SCHEMBL7492407 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL27384409 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL8134136 0.77 KDM4E (0.54) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A

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
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 ALDH1A1 2511/4885CYP1A2 860/4885SMN1; SMN2 3480/4885

“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.