SCHEMBL9953676

SCHEMBL9953676

Nc1cccc(OCCCNC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.50
F10 P00742 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
MAOB P27338 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL25247465 0.95 TSHR (0.55) L3MBTL1TSHRRECQLKDM4EMTNR1A
SCHEMBL441754 0.95 MTNR1A (0.52) L3MBTL1TSHRF10MTNR1AMTNR1B
SCHEMBL25228989 0.94 TSHR (0.57) L3MBTL1TSHRRECQLKDM4EMTNR1A
SCHEMBL25242154 0.94 TSHR (0.57) L3MBTL1TSHRRECQLKDM4EMTNR1A
SCHEMBL18041280 0.87 KDM4E (0.49) TSHRF10KDM4EMTNR1AMTNR1B
SCHEMBL3038681 0.85 HPGD (0.53) L3MBTL1TSHRRECQLF10SMN1; SMN2
SCHEMBL18737579 0.85 TSHR (0.54) L3MBTL1TSHRRECQLMTNR1AMTNR1B
SCHEMBL17164070 0.83 POLB (0.66) L3MBTL1RECQLKDM4ESMN1; SMN2ALDH1A1
SCHEMBL15018643 0.82 L3MBTL1 (0.53) L3MBTL1RECQLF10KDM4EMTNR1A
SCHEMBL17163970 0.82 DRD2 (0.64) L3MBTL1RECQLKDM4EALDH1A1KMT2A

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
EP-4392409-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 Biomea Fusion, Inc. (US) 2024-07-03 EP disclosed
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
EP-4157844-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER Centre national de la recherche scientifique (FR) 2023-04-05 EP disclosed
WO-2023027966-A1 PYRAZINE COMPOUNDS AS IRREVERSIBLE INHIBITORS OF FLT3 BIOMEA FUSION, INC. (US) 2023-03-02 WO disclosed
WO-2021239727-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-02 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 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-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 L3MBTL1 3922/4885TSHR 4588/4885RECQL 1486/4885

“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.