SCHEMBL4977010

SCHEMBL4977010

O=C(c1ccc(C(F)(F)F)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.51
SLC6A7 Q99884 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
SCN9A Q15858 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4978065 0.91 GBA1 (0.50) HSP90AB1MEN1KMT2AHPGDSCN10A
SCHEMBL4980272 0.91 HSP90AB1 (0.44) HSP90AB1CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4977103 0.90 HSP90AB1 (0.63) HSP90AB1SLC6A7MEN1KMT2AABL1
SCHEMBL4977942 0.89 KDM4E (0.53) HSP90AB1L3MBTL3L3MBTL1ALDH1A1KDM4E
SCHEMBL4976704 0.89 POLB (0.47) HSP90AB1SLC6A7MEN1KMT2AHPGD
SCHEMBL4973602 0.88 HSP90AB1 (0.49) HSP90AB1SLC6A7SCN9AHRH3HSD11B1
SCHEMBL4978554 0.88 HSP90AB1 (0.63) HSP90AB1SLC6A7KMT2AL3MBTL3L3MBTL1
SCHEMBL4979058 0.88 KDM2B (0.53) HSP90AB1SLC6A7MEN1KMT2ACYP1A2
SCHEMBL4978632 0.88 HSP90AB1 (0.51) HSP90AB1L3MBTL3L3MBTL1KDM4EHRH3
SCHEMBL4976359 0.88 HSP90AB1 (0.52) HSP90AB1L3MBTL3L3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HSP90AB1 2652/4885SLC6A7 490/4885MEN1 4419/4885

“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.