SCHEMBL4815306

SCHEMBL4815306

CC1CCCCN1c1c(-c2ccc(Oc3ccccc3)cc2)c(Cl)nc2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT3 P40763 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
TNK2 Q07912 4/20 0.39
LCK P06239 3/20 0.39
KDR P35968 3/20 0.39
TEK Q02763 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL4813045 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHTTCYP1A2
SCHEMBL4821125 0.84 TP53 (0.45) ALDH1A1SMN1; SMN2LMNAHTTEGLN2
SCHEMBL8919073 0.81 PDE2A (0.41) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL8911724 0.81 EGLN2 (0.42) ALDH1A1SMN1; SMN2LMNAHTTEGLN2
SCHEMBL8919399 0.81 EGLN2 (0.43) NPSR1EGLN2TSHRGLAPDE2A
SCHEMBL4819382 0.80 PDE2A (0.43) ALDH1A1SMN1; SMN2LMNANPSR1EGLN2
SCHEMBL8915863 0.80 TSHR (0.42) ALDH1A1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL7491339 0.79 EGLN2 (0.41) ALDH1A1NPSR1EGLN2TSHRKMT2A
SCHEMBL4819318 0.78 PDE2A (0.43) ALDH1A1LMNANPSR1EGLN2MAPT
SCHEMBL4812000 0.78 EGLN2 (0.45) ALDH1A1LMNAEGLN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 ALDH1A1 2231/4885SMN1; SMN2 655/4885LMNA 2723/4885

“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.