SCHEMBL504231

SCHEMBL504231

Cc1oc(-c2ccc(Br)o2)nc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
POLB P06746 3/20 0.43
PTK2B Q14289 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 10/20 0.41
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
MAPT P10636 4/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 4/20 0.38
TSHR P16473 3/20 0.38
PKM P14618 3/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2705773 0.72 TP53 (0.49) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6776092 0.72 KDM4E (0.64) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL203871 0.70 HSD17B10 (0.53) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL13633789 0.69 KDM4E (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1052616 0.68 KDM4E (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL201829 0.68 TARBP2 (0.53) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL503956 0.67 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL6771069 0.65 KDM4E (0.54) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL11983825 0.63 NPC1 (0.46) ALDH1A1KDM4EPOLBPTK2BMEN1
SCHEMBL503939 0.63 NPC1 (0.42) ALDH1A1KDM4EPOLBPTK2BMEN1

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 2511/4885KDM4E 4804/4885POLB 2331/4885

“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.