SCHEMBL7575282

SCHEMBL7575282

O=C(c1ccccc1)c1cc2cncnc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC6 Q9UBN7 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
VNN1 O95497 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41

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
SCHEMBL29850702 0.81 DAO (0.46) MEN1KMT2ATSHRALOX15ALDH1A1
SCHEMBL2995033 0.81 DAO (0.46) MEN1KMT2ATSHRALOX15ALDH1A1
SCHEMBL29519621 0.80 NPC1 (0.57) NPC1RAB9AALOX15EGFRPIK3CA
SCHEMBL14311952 0.78 BACE1 (0.39) MAP2K1TSHREGFR
SCHEMBL29519596 0.78 BACE1 (0.39) MAP2K1TSHREGFR
Hydrochloric Acid SCHEMBL30991388 0.76 BACE1 (0.39) MAP2K1TSHREGFR
SCHEMBL28021323 0.74 NUDT1 (0.46) ALOX15EGFR
SCHEMBL18969568 0.74 ABL1 (0.47) CYP1A2ABL1
SCHEMBL28519107 0.73 BACE1 (0.35) EGFRABL1
SCHEMBL29617789 0.73 FGFR1 (0.43) CYP1A2CYP3A4ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061896-A1 Imidazopyrimidine nucleoside analogues with anti-HIV activity BIOCHEM PHARMA, INC. (CA) 2002-05-23 US disclosed
WO-2001049700-A1 IMIDAZOPYRIMIDINE NUCLEOSIDE ANALOGUES WITH ANTI-HIV ACTIVITY BIOCHEM PHARMA INC. (CA) 2001-07-12 WO 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-20020061896-A1 Imidazopyrimidine nucleoside analogues with anti-HIV activity TYMP, PNP, SLC29A1 MAP2K1 3452/4885MEN1 3208/4885KMT2A 2945/4885

“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.