SCHEMBL25873246

SCHEMBL25873246

CC(C)c1ncnc2cc(N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.47
KIT P10721 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 1/20 0.37
ERBB2 P04626 1/20 0.36
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
MDM4 O15151 1/20 0.36
CSF1R P07333 1/20 0.36
BRAF P15056 1/20 0.36
TNNI3K Q59H18 1/20 0.36

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
SCHEMBL10058352 0.80 KIF11 (0.40) EGFRKITMEN1NPC1ALDH1A1
SCHEMBL21347904 0.80 CHEK1 (0.42) EGFRNPC1ALDH1A1POLBMAPT
SCHEMBL12141937 0.79 TRPA1 (0.40) EGFRMEN1KMT2ACSF1R
SCHEMBL21348272 0.79 NR4A2 (0.46) MEN1NPC1ALDH1A1POLBKMT2A
SCHEMBL12141884 0.76 EGFR (0.51) EGFRALDH1A1MAPTCSF1R
SCHEMBL25639638 0.76 ELANE (0.40) EGFRMEN1NPC1ALDH1A1MAPT
SCHEMBL6371765 0.75 PI4KA (0.52) EGFRNPC1ALDH1A1POLBMAPT
SCHEMBL6096033 0.75 PI4KA (0.57) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL29663392 0.75 PI4KA (0.57) EGFRPI4KAPI4K2BPI4K2API4KB
SCHEMBL21348270 0.75 PARP1 (0.45) EGFRCSF1R

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-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 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-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 EGFR 1061/4885KIT 3826/4885MEN1 565/4885

“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.