SCHEMBL6205563

SCHEMBL6205563

Cc1cccc(-n2ncc(C#N)c2N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
XDH P47989 2/20 0.51
RXFP1 Q9HBX9 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 3/20 0.48
PAX8 Q06710 1/20 0.46
GFER P55789 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
SCHEMBL12795372 0.85 KMT2A (0.74) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3433147 0.84 KMT2A (0.73) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL30120645 0.83 KMT2A (0.71) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL544885 0.83 KMT2A (0.71) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL1143393 0.82 KMT2A (0.70) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL3804511 0.82 KMT2A (0.70) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL1457049 0.82 KMT2A (0.70) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL1456317 0.81 KMT2A (0.71) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL60939 0.81 KMT2A (0.71) KMT2AKDM4EMEN1MAPTNPC1
SCHEMBL6204920 0.80 KMT2A (0.66) KMT2AKDM4EMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
EP-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
WO-2021156774-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2021-08-12 WO disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 KMT2A 3761/4885KDM4E 3566/4885MEN1 1434/4885

“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.