SCHEMBL10845926

SCHEMBL10845926

CSc1nc(Cl)cc(CCl)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 2/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 2/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSP90AB1 P08238 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2462899 0.86 HTT (0.47) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL14399610 0.84 POLB (0.46) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL4447774 0.82 HTT (0.45) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL62021 0.82 POLB (0.53) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL1271823 0.80 POLB (0.39) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL1272010 0.78 POLB (0.42) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL112702 0.78 POLB (0.50) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL26961000 0.78 POLB (0.42) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL3943057 0.77 POLB (0.41) POLBHTTKMT2AMEN1SMN1; SMN2
SCHEMBL10853582 0.76 KMT2A (0.44) POLBHTTKMT2AMEN1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396501-B2 Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same CGENETECH (SUZHOU, CHINA) CO., LTD. (CN) 2022-07-26 US disclosed
EP-3687540-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CGeneTech (Suzhou, China) Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-07-30 US disclosed
WO-2019060860-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-03-28 WO disclosed
US-4604466-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-08-05 US disclosed
US-4478835-A BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1984-10-23 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 (2 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-11396501-B2 Heteroaryl compounds as CXCR4 inhibitors, composition and method using the same CXCR4, CXCL12, CXCR1 POLB 2267/4885HTT 1844/4885KMT2A 3763/4885
US-20200239439-A1 HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME CXCR4, CXCL12, CXCR1 POLB 2267/4885HTT 1844/4885KMT2A 3763/4885

“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.