SCHEMBL21611512

SCHEMBL21611512

COc1ncnc(Oc2cccnc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.48
▸ LMNA P02545 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TTBK1 Q5TCY1 1/20 0.42
▸ TTBK2 Q6IQ55 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ TRPA1 O75762 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL21858763 0.84 TRPA1 (0.50) MAP4K4LMNATDP1TRPA1KMT2A
SCHEMBL21611401 0.79 LMNA (0.53) MAP4K4LMNATDP1TTBK1TTBK2
SCHEMBL21611480 0.78 SMN1; SMN2 (0.56) MAP4K4LMNATTBK1TTBK2KMT2A
SCHEMBL21611504 0.76 LMNA (0.50) MAP4K4LMNATDP1KMT2AALDH1A1
SCHEMBL21611499 0.76 LMNA (0.56) MAP4K4LMNATTBK1TTBK2ALDH1A1
SCHEMBL21611421 0.75 EGFR (0.60) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL21611408 0.75 MRGPRX1 (0.52) MAP4K4LMNATRPA1KMT2AALDH1A1
SCHEMBL28517393 0.75 TRPA1 (0.36) LMNATRPA1KMT2AFLT3
SCHEMBL21611547 0.74 TRPA1 (0.53) LMNATRPA1KMT2AALDH1A1FLT3
SCHEMBL21611524 0.74 L3MBTL1 (0.46) LMNAKMT2ALTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 — — US disclosed
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
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 — — CN 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
CN-112368276-A Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-02-12 — — CN disclosed
WO-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 — — WO 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 (2 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 MAP4K4 3004/4885LMNA 2178/4885TDP1 2551/4885
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL MAP4K4 2415/4885LMNA 2525/4885TDP1 3142/4885

“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.

Send feedback