SCHEMBL3046547

SCHEMBL3046547

CN1CCN(S(=O)(=O)c2ccc3[nH]c(-c4cc(-c5ccccc5)c(N)c5c4C(=O)NC5=O)cc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.60
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.41
PDE5A O76074 2/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
BLM P54132 1/20 0.38
HTR6 P50406 1/20 0.38
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37

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
SCHEMBL3041493 0.90 KDR (0.52) KDRTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3047915 0.84 KDR (0.62) KDRTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5355012 0.75 KDR (1.00) KDRTSHRMEN1KMT2APKM
SCHEMBL5371286 0.73 KDR (0.79) KDRTSHRMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3049633 0.72 KDR (0.58) KDR
SCHEMBL3034017 0.71 KDR (0.59) KDRTSHRMEN1KMT2APKM
SCHEMBL5356996 0.71 KDR (0.79) KDRTSHRMEN1KMT2APKM
SCHEMBL14590416 0.70 KDR (0.88) KDRTSHRMEN1KMT2APKM
SCHEMBL1684564 0.68 TSHR (0.67) TSHRSMN1; SMN2MEN1KMT2APKM
SCHEMBL3044056 0.68 NR1H2 (0.39)

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDR 3226/4885TSHR 563/4885SMN1; SMN2 3395/4885

“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.