SCHEMBL21242832

SCHEMBL21242832

Nc1nc2nccc(Cl)c2s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.38
PDE10A Q9Y233 1/20 0.38
PAK4 O96013 1/20 0.37
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CXCR2 P25025 5/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
CX3CR1 P49238 1/20 0.32
KMO O15229 1/20 0.32
NR4A2 P43354 1/20 0.31

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
SCHEMBL34471500 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPDE10APAK4KDM4E
SCHEMBL25260771 0.78 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL31679132 0.78 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL25239058 0.77 SMN1; SMN2 (0.32) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL25425575 0.73 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL25291277 0.73 RECQL (0.34) SMN1; SMN2
SCHEMBL35211618 0.71 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPDE10APAK4ALDH1A1
SCHEMBL6664363 0.69 SMN1; SMN2 (1.00) SMN1; SMN2LMNAPDE10AKDM4EALDH1A1
SCHEMBL25739708 0.69 MAPT (0.33) SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL31389813 0.69 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPDE10AKDM4EALDH1A1

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-20210070754-A1 JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-03-11 US disclosed
WO-2019149244-A1 JAK INHIBITOR AND USE THEREOF 南京明德新药研发股份有限公司 2019-08-08 WO 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-20210070754-A1 JAK INHIBITOR AND USE THEREOF JAK1, JAK2, TYK2 SMN1; SMN2 3000/4885LMNA 4289/4885PDE10A 1995/4885

“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.