SCHEMBL3340308

SCHEMBL3340308

Cc1c(F)cc(-c2ccn[nH]c2=O)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.38
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
CDC7 O00311 3/20 0.36
PIK3R2 O00459 1/20 0.36
ACVR1 Q04771 1/20 0.36
P2RX7 Q99572 2/20 0.36
PKMYT1 Q99640 1/20 0.36
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DGAT1 O75907 1/20 0.34
JAK2 O60674 1/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3342946 0.83 BTK (0.43) BTKIKBKBCHUKCDC7P2RX7
SCHEMBL3340311 0.81 NOTUM (0.36) PIK3R2P2RX7NOTUM
SCHEMBL3344611 0.81 BTK (0.46) BTKIKBKBCHUKCDC7P2RX7
SCHEMBL3348215 0.79 PIK3R2 (0.38) BTKIKBKBCHUKCDC7PIK3R2
SCHEMBL14955413 0.76 NOTUM (0.43) P2RX7NOTUM
SCHEMBL3094563 0.71 NOTUM (0.56) P2RX7NOTUM
SCHEMBL2326304 0.71 NOTUM (0.40) ACVR1P2RX7NOTUM
SCHEMBL1210909 0.69 HCAR2 (0.42) BTKCDC7SIRT3TDP1DGAT1
SCHEMBL3342950 0.68 BRD4 (0.43) P2RX7TDP1NOTUM
SCHEMBL2473305 0.66 KMT2A (0.42) BTKNOTUM

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 BTK 3512/4885IKBKB 2102/4885CHUK 1510/4885

“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.