SCHEMBL5913976

SCHEMBL5913976

CC(C)NCC[C@@H](Cc1ccccc1)Nc1nccc(N(C)c2ccnc(-c3ccccc3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR7 P34969 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ PDGFRB P09619 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
SCHEMBL5914336 0.90 CYP1A2 (0.38) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5913983 0.87 CYP1A2 (0.36) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914274 0.87 MAPK14 (0.37) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914230 0.86 CYP1A2 (0.33) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914396 0.85 KDM4E (0.42) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914170 0.85 ALDH1A1 (0.38) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914397 0.82 ALDH1A1 (0.34) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5914034 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL5261647 0.79 NPR3 (0.47) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5913860 0.79 NPR3 (0.47) MAPK14ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPK14 2620/4885ALDH1A1 3019/4885CYP1A2 1159/4885

“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.

Send feedback