SCHEMBL9925944

SCHEMBL9925944

CCc1cnc(-n2cccn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.44
KMT2A Q03164 3/20 0.43
PCSK9 Q8NBP7 1/20 0.42
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNA7 P36544 1/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35

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
SCHEMBL19779317 0.88 KDM4E (0.43) KDM4EALDH1A1LMNAKMT2APCSK9
SCHEMBL10136885 0.78 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2APCSK9
SCHEMBL25165262 0.76 KDM4E (0.68) KDM4EALDH1A1LMNAKMT2ANLRP3
SCHEMBL10272815 0.76 SMN1; SMN2 (0.50) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL13114696 0.76 NOTUM (0.47) KDM4EALDH1A1KMT2APCSK9CHRNA7
SCHEMBL4178530 0.76 LMNA (0.53) KDM4EALDH1A1LMNAKMT2ARXFP1
SCHEMBL12640004 0.76 PCSK9 (0.44) KDM4EALDH1A1LMNAKMT2APCSK9
SCHEMBL19413021 0.76 KDM4E (0.41) KDM4EALDH1A1LMNAKMT2APCSK9
SCHEMBL12186846 0.74 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2APCSK9
SCHEMBL18708287 0.74 KDM4E (0.50) KDM4EALDH1A1LMNAKMT2APCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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 (4 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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4500/4885ALDH1A1 3042/4885LMNA 691/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4500/4885ALDH1A1 3042/4885LMNA 691/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885ALDH1A1 2702/4885LMNA 2749/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885ALDH1A1 2702/4885LMNA 2749/4885

“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.