SCHEMBL21996594

SCHEMBL21996594

CC(C)n1cc(C#N)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDK2 P24941 1/20 0.35
POLB P06746 1/20 0.33
XDH P47989 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
CHUK O15111 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
SCHEMBL21996606 0.76 CCNA2 (0.33) CDK2
SCHEMBL28650211 0.74 ALDH1A1 (0.38) KDM4EALDH1A1CDK2POLBKDR
SCHEMBL21996593 0.72 CDK5 (0.39) KDM4EALDH1A1CDK2POLBKDR
SCHEMBL21996615 0.71 ESR1 (0.43) ALDH1A1
SCHEMBL21996598 0.71 PIM1 (0.35) POLBKDR
SCHEMBL31162340 0.69 ALDH1A1 (0.40) KDM4EALDH1A1TDP1CDK2PGR
SCHEMBL6364076 0.67 KDR (0.56) KDRTEK
SCHEMBL30095873 0.66 CDK1 (0.38) CDK2POLB
SCHEMBL2314716 0.66 CDK1 (0.38) CDK2POLB
SCHEMBL31162314 0.64 ALDH1A1 (0.41) KDM4EALDH1A1TDP1XDH

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-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS CELULARITY INC. (US) 2022-08-11 US disclosed
EP-3887364-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity Inc. (US) 2021-10-06 EP disclosed
CN-113454076-A Aromatic compounds for activating hematopoietic stem and progenitor cells 细胞结构公司 2021-09-28 CN disclosed
WO-2020113178-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity, Inc. (US) 2020-06-04 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-20220251104-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS ALPP, MCL1, NFATC1 KDM4E 1093/4885ALDH1A1 53/4885TDP1 3463/4885

“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.