SCHEMBL2553567

SCHEMBL2553567

O=C(O)NCCc1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
MAPT P10636 2/20 0.46
MTNR1B P49286 2/20 0.45
AKR1B1 P15121 4/20 0.44
AKR1A1 P14550 1/20 0.44
P2RX7 Q99572 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 1/20 0.42
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2965399 0.83 AKR1B1 (0.55) PDPK1MAPTAKR1B1AKR1A1P2RX7
SCHEMBL1819388 0.83 POLB (0.46) MAPTMTNR1BP2RX7MTNR1A
SCHEMBL19212130 0.81 AKR1B1 (0.44) MAPTAKR1B1NPC1RAB9A
SCHEMBL13546222 0.80 PDPK1 (0.44) PDPK1MAPTMTNR1BAKR1B1AKR1A1
SCHEMBL19212131 0.79 HDAC1 (0.36) MAPTMTNR1BNPC1SMN1; SMN2KMT2A
SCHEMBL2552330 0.79 AAK1 (0.50) PDPK1MTNR1BSMN1; SMN2MEN1KMT2A
SCHEMBL29707309 0.79 LMNA (0.52) PDPK1MAPTAKR1B1NPC1SMN1; SMN2
SCHEMBL19210898 0.79 LMNA (0.52) PDPK1MAPTAKR1B1NPC1SMN1; SMN2
SCHEMBL19212148 0.78 CNR1 (0.41) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL6706610 0.78 CYP1A2 (0.41) MTNR1BNPC1CYP1A2CYP2D6CYP2C9

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-3414252-B1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO HEALTH INC (US) 2022-07-06 EP disclosed
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 US disclosed
EP-3414251-B1 THIENOPYRAZINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-10-16 EP disclosed
EP-3414252-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139778-A1 THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDPK1 3706/4885MAPT 2364/4885MTNR1B 2931/4885

“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.