SCHEMBL6645922

SCHEMBL6645922

c1cnc(N2CCSCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 2/20 0.48
POLB P06746 1/20 0.48
ACHE P22303 3/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL10498542 0.82 LMNA (0.70) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL6663539 0.82
SCHEMBL2168776 0.77 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL3339822 0.77 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL18228600 0.77 KDM4E (0.60) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL3291868 0.76 KDM4E (0.39) KDM4EALDH1A1POLBACHECYP2C19
SCHEMBL11101846 0.76 ACHE (0.38) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL1928132 0.75 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTUSP2
SCHEMBL2951425 0.75 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTUSP2
Ammonia Solution, Strong SCHEMBL28080150 0.75 KDM4E (0.58) KDM4EALDH1A1LMNAMAPTUSP2

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-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER COILED THERAPEUTICS, INC. 2024-11-14 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed
US-4565864-A INTERMEDIATES FOR BRONCHODILATORS RIKER LABORATORIES, INC. (US) 1986-01-21 US disclosed
US-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 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 (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-20240374590-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NTPCR, PTPRC, NFATC1 KDM4E 4462/4885ALDH1A1 1208/4885LMNA 1901/4885

“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.