SCHEMBL4934412

SCHEMBL4934412

Cc1nc(C)c2ncn(C)c2c1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ IKBKB O14920 4/20 0.43
▸ CHUK O15111 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PDE1B Q01064 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ NCF1 P14598 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL4933185 0.77 ALDH1A1 (0.40) KDM4EALDH1A1GAATSHRGLA
SCHEMBL27285050 0.64 ADORA2A (0.35) KDM4EALDH1A1GAATSHRGLA
SCHEMBL27250006 0.64 ALDH1A1 (0.60) KDM4EALDH1A1GAATSHRGLA
SCHEMBL13348729 0.62 CDK1 (0.37) IKBKBCHUK
SCHEMBL14589117 0.61 IKBKB (0.49) IKBKBCHUK
SCHEMBL24402236 0.61 KDM4E (0.60) KDM4EALDH1A1GAATSHRGLA
SCHEMBL24567276 0.60 DHFR (0.50) KDM4ESMN1; SMN2CYP1A2CRHBPCRHR2
SCHEMBL5375010 0.60 ALDH1A1 (0.45) KDM4EALDH1A1GAATSHRGLA
SCHEMBL21015713 0.59 PIK3CA (0.54) KDM4EALDH1A1GAATSHRGLA
SCHEMBL14589121 0.59 IKBKB (0.47) IKBKBCHUK

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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 — — 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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 KDM4E 793/4885ALDH1A1 394/4885GAA 126/4885

“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