SCHEMBL3034017

SCHEMBL3034017

CN1CCN(S(=O)(=O)c2ccc3[nH]c(-c4ccc(Cl)c5c4C(=O)NC5)cc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.59
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AURKA O14965 2/20 0.43
CDK1 P06493 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
VCAM1 P19320 1/20 0.42
HTR6 P50406 1/20 0.42
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3048935 0.80 KDR (0.58) KDRAURKACDK1TSHR
Hydrochloric Acid SCHEMBL3043640 0.80 AURKA (0.44) KDRAURKACDK1
SCHEMBL3047915 0.80 KDR (0.62) KDRMEN1KMT2AHTR6ATM
Hydrochloric Acid SCHEMBL3046465 0.78 ALK (0.42) KDRAURKACDK1
SCHEMBL3043745 0.78 KDR (0.47) KDRMEN1KMT2AAURKACDK1
SCHEMBL5371286 0.77 KDR (0.79) KDRMEN1KMT2AL3MBTL1RAB9A
SCHEMBL3046155 0.77 AURKA (0.65) KDRAURKACDK1
SCHEMBL3040225 0.76 AURKA (0.49) KDRAURKACDK1
Hydrochloric Acid SCHEMBL3050705 0.75 AURKA (0.48) KDRAURKACDK1
SCHEMBL3033775 0.75 KDR (0.63) KDRMEN1KMT2AAURKACDK1

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 2 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
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KDR 3226/4885MEN1 1165/4885KMT2A 320/4885

“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.