SCHEMBL3044993

SCHEMBL3044993

Nc1c(-c2cccs2)cc(-c2cc3cc(C(=O)N4CCNCC4)ccc3[nH]2)c2c1C(=O)NC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.54
HPN P05981 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
PLAUR Q03405 1/20 0.38
PBK Q96KB5 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
MGLL Q99685 1/20 0.37
HDAC1 Q13547 3/20 0.36
PARP1 P09874 1/20 0.36
HDAC3 O15379 2/20 0.36
KCNH2 Q12809 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
RIPK1 Q13546 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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 SCHEMBL3049633 0.85 KDR (0.58) KDRADORA2AADORA1HRH4MGLL
SCHEMBL3048545 0.83 KDR (0.54) KDRADORA2AADORA1HRH4MGLL
Hydrochloric Acid SCHEMBL3048587 0.82 KDR (0.51) KDRADORA2AADORA1CHEK1WEE1
Hydrochloric Acid SCHEMBL3051334 0.82 CHEK1 (0.41) CHEK1WEE1
SCHEMBL3043843 0.81 KDR (0.54) KDRHPNADORA2AADORA1PLAUR
Hydrochloric Acid SCHEMBL5047143 0.80 KDR (0.60) KDRADORA2AADORA1CHEK1HRH4
SCHEMBL3050410 0.76 KDR (0.49) KDRADORA2AADORA1HRH4MGLL
SCHEMBL3050419 0.76 KDR (0.49) KDRADORA2AADORA1HRH4MGLL
SCHEMBL5048277 0.74 KDR (0.53) KDRADORA2AADORA1HRH4MGLL
Hydrochloric Acid SCHEMBL3047762 0.73 KDR (0.52) KDRADORA2AADORA1HRH4MGLL

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 3226/4885HPN 4482/4885ADORA2A 1278/4885

“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.