SCHEMBL5117067

SCHEMBL5117067

Cc1nc(Oc2ccccc2)c(NCC(C)C)c(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HTT P42858 1/20 0.36
ADORA2A P29274 1/20 0.35
ESR1 P03372 2/20 0.35
IDH1 O75874 1/20 0.35
ACP1 P24666 1/20 0.35
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL842220 0.92 MAPT (0.37) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL842636 0.79 PIN1 (0.39) MAPTGAALMNAALDH1A1HTT
SCHEMBL5332845 0.79 STK17A (0.38) MAPTLMNAALDH1A1HTTADORA2A
SCHEMBL5343269 0.78 STK17A (0.37) MAPTLMNAALDH1A1HTTADORA2A
SCHEMBL4769232 0.77 STK17A (0.36) LMNAALDH1A1HTTADORA2ATLR7
SCHEMBL7247349 0.76 CYP1A2 (0.42) MAPTLMNAALDH1A1ALOX12HRH4
SCHEMBL4777348 0.76 GBA1 (0.36) MAPTLMNAALDH1A1HTTCYP1A2
SCHEMBL4772034 0.73 HTR7 (0.42) ALDH1A1
SCHEMBL6218252 0.72 HTT (0.38) KDM4ELMNAALDH1A1HRH4HTT
SCHEMBL6220955 0.72 FPR2 (0.33) MAPTLMNAALDH1A1HTTADORA2A

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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 MAPT 2738/4885KDM4E 2439/4885GAA 2473/4885

“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.