SCHEMBL3040959

SCHEMBL3040959

CN(C)Cc1c(-c2ccc(Cl)c3c2C(=O)NC3)[nH]c2ccc(CN3CCCCC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
JAK3 P52333 1/20 0.36
PARP1 P09874 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL3053071 0.87 ALDH1A1 (0.51) HSD17B10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3048710 0.86 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL3050165 0.78 CHEK1 (0.54) HSD17B10ALDH1A1KDM4EHPGDPOLB
Hydrochloric Acid SCHEMBL3046777 0.77 CHEK1 (0.52) POLBSMN1; SMN2
SCHEMBL13290544 0.73 HSD17B10 (0.52) HSD17B10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL3837432 0.71 ALDH1A1 (0.49) HSD17B10ALDH1A1KDM4EHPGDKMT2A
Hydrochloric Acid SCHEMBL3043640 0.71 AURKA (0.44) PRKCBPRKCAPRKCHPRKCEPRKCQ
Hydrochloric Acid SCHEMBL3038378 0.71 AURKA (0.43) PRKCBPRKCAPRKCHPRKCEPRKCQ
SCHEMBL3049431 0.70 CHEK1 (0.44)
Hydrochloric Acid SCHEMBL3043804 0.70 CHEK1 (0.44)

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 HSD17B10 917/4885ALDH1A1 3131/4885KDM4E 488/4885

“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.