SCHEMBL4511938

SCHEMBL4511938

CC(C)(N)CCNc1nc(-c2cc3cc(Cl)ccc3o2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.42
CNR2 P34972 1/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 1/20 0.41
PDE5A O76074 3/20 0.41
MAPK1 P28482 5/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ACP1 P24666 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL4519576 0.88 KMT2A (0.43) MEN1KMT2APOLBMAPTLMNA
SCHEMBL4510629 0.82 POLB (0.66) MEN1KMT2APOLBSLC2A1MAPK1
SCHEMBL4493556 0.79 CYP1A2 (0.43) MEN1KMT2APOLBSLC2A1MAPT
Hydrochloric Acid SCHEMBL4494721 0.78 CYP1A2 (0.43) MEN1KMT2APOLBMAPTLMNA
Hydrochloric Acid SCHEMBL4502022 0.76 CYP1A2 (0.47) MEN1KMT2APOLBMAPTLMNA
Hydrochloric Acid SCHEMBL4521126 0.73 KDM4E (0.45) MEN1KMT2APOLBMAPTLMNA
Hydrochloric Acid SCHEMBL4518504 0.72 PDE5A (0.52) MEN1KMT2APOLBMAPTPDE5A
SCHEMBL1289433 0.72 TLR9 (0.62) KMT2APOLBPDE5AMAPK1ACP1
SCHEMBL1289375 0.71 KDM1A (0.54) MEN1KMT2APOLBMAPTLMNA
SCHEMBL1289449 0.71 ALDH1A1 (0.59) KMT2APOLBSLC2A1MAPK1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US claimed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 MEN1 1322/4885KMT2A 475/4885POLB 3856/4885

“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.