SCHEMBL21611531

SCHEMBL21611531

COc1ncnc(Sc2ccccc2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
CASP1 P29466 1/20 0.37
TSHR P16473 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
SCHEMBL5244234 0.82 LMNA (0.56) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3063111 0.78 LMNA (0.59) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL21611415 0.75 MAPT (0.64) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5247718 0.75 CDC7 (0.57) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL21858763 0.73 TRPA1 (0.50) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL2900733 0.72 PDPK1 (0.43) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5246745 0.68 LMNA (0.58) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL11475921 0.67 PDPK1 (0.39) MAPTSMN1; SMN2LMNARETKDR
SCHEMBL13973360 0.66 ALDH1A1 (0.43) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL5247221 0.65 NR1H2 (0.50) MAPTSMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM VERNALIS (R&D) LTD (GB) 2021-07-22 US disclosed
EP-3818054-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2021-05-12 EP disclosed
WO-2020008013-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-01-09 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-20210221785-A1 AMINO-PYRIMIDONYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DHFR, QDPR, DPYD MAPT 2373/4885SMN1; SMN2 3049/4885LMNA 2178/4885

“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.