SCHEMBL3402235

SCHEMBL3402235

C[C@@H]1CN(c2ccc(N)cn2)C[C@H](C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
PTPN11 Q06124 3/20 0.40
SMO Q99835 1/20 0.38
OGA O60502 1/20 0.37
FLT3 P36888 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR2 P34972 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL13746008 1.00 HDAC1 (0.52) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3402238 1.00 HDAC1 (0.52) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30436519 1.00 HDAC1 (0.52) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29992664 0.81 CNR2 (0.51) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29992281 0.81 CNR2 (0.51) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13103461 0.81 HDAC1 (0.47) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19001220 0.81 HDAC1 (0.47) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17128293 0.80 HDAC1 (0.46) HDAC1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL67060 0.80 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29498462 0.80 KMT2A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192656-A1 FGFR INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-22 US disclosed
EP-4186894-A1 FGFR INHIBITOR COMPOUND AND USE THEREOF Henan Medinno Pharmaceutical Technology Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-113666911-A FGFR inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-11-19 CN disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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-20230192656-A1 FGFR INHIBITOR COMPOUND AND USE THEREOF FGFR3, FGFR1, FGFR4 HDAC1 769/4885GRIN2D 3124/4885GRIN3B 2923/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 HDAC1 1109/4885GRIN2D 4148/4885GRIN3B 3211/4885

“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.