SCHEMBL4784523

SCHEMBL4784523

O=c1[nH]nc(-c2ccccc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 1.00
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
PLA2G10 O15496 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
ADORA2B P29275 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL19852599 0.80 BTK (0.67) BTKALDH1A1HPGDMAPTKDM4E
SCHEMBL16060197 0.78 BTK (0.64) BTKMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL8286179 0.78 BTK (0.64) BTKMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5914302 0.78 BTK (0.64) BTKKDM4ENR1H2NR1H3TNKS
SCHEMBL18011448 0.78 BTK (0.64) BTKALDH1A1HPGDMEN1KMT2A
SCHEMBL1099828 0.78 BTK (0.64) BTKALDH1A1HPGDMEN1KMT2A
SCHEMBL14667341 0.77 BTK (0.61) BTKSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL5253432 0.77 BTK (0.61) BTKALDH1A1HPGDMEN1KMT2A
SCHEMBL14001910 0.77 BTK (0.61) BTKALDH1A1HPGDMEN1KMT2A
SCHEMBL8268404 0.77 BTK (0.61) BTKNPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444289-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-4161926-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 EP disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2008060568-A2 AMIDE-SUBSTITUTED ARYL PIPERIDINES NEUROGEN CORPORATION (US) 2008-05-22 WO disclosed
EP-1770086-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT BTK 2407/4885ALDH1A1 1288/4885HPGD 1649/4885

“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.