SCHEMBL21996598

SCHEMBL21996598

CC(C)n1cc(C(N)=O)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.35
PIM2 Q9P1W9 6/20 0.35
TTK P33981 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PDPK1 O15530 1/20 0.34
TYK2 P29597 1/20 0.33
PARP1 P09874 1/20 0.33
CFTR P13569 1/20 0.33
KCNH2 Q12809 3/20 0.32
RET P07949 3/20 0.32
SRC P12931 3/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL21996593 0.87 CDK5 (0.39) NPC1POLBCDK5CDK5R1PDPK1
SCHEMBL21996606 0.74 CCNA2 (0.33) CDK5CDK5R1
SCHEMBL21996594 0.71 KDM4E (0.36) POLBKDR
SCHEMBL16747748 0.70 RET (0.58) PDPK1KCNH2RETSRCPIK3CD
SCHEMBL25750400 0.69 TYK2 (0.40) PIM1PIM2TTKPDPK1TYK2
SCHEMBL27949611 0.67 NTRK1 (0.44) KCNH2NTRK1
SCHEMBL13798685 0.65 PIM1 (0.34) PIM1PIM2TTKLMNA
SCHEMBL2314716 0.64 CDK1 (0.38) NPC1POLBCDK5CDK5R1
SCHEMBL30095873 0.64 CDK1 (0.38) NPC1POLBCDK5CDK5R1
SCHEMBL30385795 0.62 KDM4E (0.48) PIM1PIM2TTKLMNANPC1

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 PIM1 681/4885PIM2 950/4885TTK 2561/4885

“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.