SCHEMBL504247

SCHEMBL504247

Cc1[c]nc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KLF5 Q13887 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL504678 0.78 NPC1 (0.47) ALDH1A1SMN1; SMN2HSD17B10TSHRHPGD
SCHEMBL1435654 0.76 RAB9A (0.54) CYP1A2ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL1435603 0.73 NPC1 (0.51) CYP1A2ALDH1A1SMN1; SMN2TSHRNOTUM
SCHEMBL9879185 0.72 NPC1 (0.54) CYP1A2ALDH1A1SMN1; SMN2HSD17B10CYP3A4
SCHEMBL6984735 0.72 SMN1; SMN2 (0.73) CYP1A2ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL16072944 0.72 CYP1A2 (0.58) CYP1A2ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL9195816 0.72 SMN1; SMN2 (0.79) CYP1A2ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL1435933 0.72 NPC1 (0.50) ALDH1A1SMN1; SMN2HSD17B10TSHRNOTUM
SCHEMBL1435997 0.72 NPC1 (0.44) CYP1A2ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL3985840 0.70 PRKCI (0.45) NOTUMS1PR1

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 CYP1A2 860/4885ALDH1A1 2511/4885SMN1; 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.