SCHEMBL3611294

SCHEMBL3611294

Cc1c(Cl)ccc2cc(C(=O)N[C@H]3CCNC3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 5/20 0.47
SYK P43405 2/20 0.44
NSD2 O96028 1/20 0.43
SETD2 Q9BYW2 1/20 0.43
JAK2 O60674 1/20 0.42
DRD4 P21917 1/20 0.41
PBK Q96KB5 1/20 0.41
BRD4 O60885 4/20 0.39
ATAD2 Q6PL18 4/20 0.39
PARP1 P09874 1/20 0.39
CHEK1 O14757 2/20 0.39
GHSR Q92847 1/20 0.38
KDR P35968 1/20 0.38
PYGL P06737 1/20 0.38
PYGM P11217 1/20 0.38

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
SCHEMBL3616197 1.00 SMYD3 (0.47) SMYD3SYKNSD2SETD2JAK2
SCHEMBL3611297 1.00 SMYD3 (0.47) SMYD3SYKNSD2SETD2JAK2
SCHEMBL3610636 0.93 SYK (0.51) SMYD3SYKNSD2SETD2PBK
SCHEMBL3610639 0.93 SYK (0.51) SMYD3SYKNSD2SETD2PBK
SCHEMBL3618497 0.93 SYK (0.51) SMYD3SYKNSD2SETD2PBK
SCHEMBL3611824 0.86 SMYD3 (0.47) SMYD3SYKNSD2SETD2PBK
SCHEMBL3611827 0.86 SMYD3 (0.47) SMYD3SYKNSD2SETD2PBK
SCHEMBL3606352 0.81 SMYD3 (0.69) SMYD3NSD2SETD2BRD4ATAD2
SCHEMBL3607953 0.81 SMYD3 (0.69) SMYD3NSD2SETD2BRD4ATAD2
SCHEMBL3606357 0.81 SMYD3 (0.69) SMYD3NSD2SETD2BRD4ATAD2

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT SMYD3 811/4885SYK 3494/4885NSD2 146/4885

“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.