SCHEMBL2294904

SCHEMBL2294904

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(N)nc(-c3ccccc3)nc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66
PI4K2A Q9BTU6 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
CD99 P14209 1/20 0.54
ADORA2A P29274 7/20 0.53
ADORA2B P29275 2/20 0.52
CYP1A2 P05177 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA1 P30542 2/20 0.49
THPO P40225 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
BLM P54132 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2288205 0.86 RXFP1 (0.60) PI4KAPI4K2BPI4K2API4KBCD99
SCHEMBL2292011 0.84 ADORA2A (0.71) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13314808 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13296260 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5052443 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL25242659 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24146589 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL24146587 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2111246 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL325225 0.84 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA2A

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 PI4KA 4490/4885PI4K2B 3867/4885PI4K2A 4444/4885

“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.