SCHEMBL4754583

SCHEMBL4754583

Cc1nc2cnc3ccccc3c2n1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
UBE2N P61088 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4756373 0.84 KMT2A (0.45) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4756090 0.83 NPSR1 (0.47) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL4756374 0.82 LRRK2 (0.39) KMT2AMEN1GAAHTTSMN1; SMN2
SCHEMBL5405185 0.81 XBP1 (0.48) HTTSMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL4754553 0.80 HSD17B10 (0.47) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL2682715 0.76 KDM4E (0.43) KMT2AMEN1GAACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4758757 0.75 KDM4E (0.53) KMT2AMEN1GAACYP1A2LMNA
SCHEMBL5813403 0.74 SMN1; SMN2 (0.47) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL9216070 0.74 PIK3CA (0.49) KMT2AMEN1GAACYP1A2ALDH1A1
SCHEMBL5598206 0.74 KMT2A (0.51) KMT2AMEN1GAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 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 (2 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 KMT2A 2385/4885MEN1 2757/4885GAA 1643/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 KMT2A 2385/4885MEN1 2757/4885GAA 1643/4885

“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.