SCHEMBL3045069

SCHEMBL3045069

COc1cc(-c2cc3cc(CN(C)C)ccc3[nH]2)c2c(c1OS(C)(=O)=O)CNC2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.42
KDR P35968 9/20 0.42
NQO2 P16083 1/20 0.36
CDK1 P06493 1/20 0.36
CHEK1 O14757 1/20 0.34
TNKS O95271 1/20 0.34
ACHE P22303 3/20 0.33
NEK1 Q96PY6 1/20 0.33
PARP1 P09874 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
Hydrochloric Acid SCHEMBL3037198 0.92 KDR (0.41) AURKAKDRNQO2CDK1CHEK1
Hydrochloric Acid SCHEMBL3033630 0.92 AURKA (0.42) AURKAKDRNQO2CDK1CHEK1
SCHEMBL3044385 0.92 AURKA (0.41) AURKAKDRNQO2CDK1ACHE
Hydrochloric Acid SCHEMBL3051223 0.91 AURKA (0.41) AURKAKDRNQO2CDK1ACHE
Hydrochloric Acid SCHEMBL3050894 0.90 AURKA (0.43) AURKAKDRNQO2CDK1ACHE
SCHEMBL3043567 0.90 KDR (0.41) AURKAKDRNQO2CDK1CHEK1
SCHEMBL3040153 0.89 AURKA (0.40) AURKAKDRNQO2CDK1CHEK1
SCHEMBL3040152 0.89 KDR (0.40) AURKAKDRNQO2CDK1CHEK1
Hydrochloric Acid SCHEMBL3040378 0.89 AURKA (0.40) AURKAKDRNQO2CDK1CHEK1
Hydrochloric Acid SCHEMBL3042483 0.89 AURKA (0.43) AURKAKDRNQO2CDK1CHEK1

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 claimed
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

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 AURKA 2312/4885KDR 3226/4885NQO2 308/4885

“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.