SCHEMBL4975409

SCHEMBL4975409

O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 2/20 0.51
RCE1 Q9Y256 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.48
PKM P14618 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4978051 0.87 SLC6A7 (0.53) TSHRKDM4ELMNAALDH1A1
SCHEMBL4976751 0.86 CCR3 (0.46) CYP2C9KDM4EALDH1A1PKM
SCHEMBL4976323 0.84 ALDH1A1 (0.56) KDM4ELMNAALDH1A1USP2GAA
SCHEMBL4979693 0.83 PTPN11 (0.39) CYP2C9SMN1; SMN2HPGDTSHRKDM4E
SCHEMBL4996485 0.83 HSP90AB1 (0.52) SMN1; SMN2HPGDTSHRKDM4EMAPK1
SCHEMBL4976359 0.82 HSP90AB1 (0.52) KDM4EALDH1A1POLB
SCHEMBL4976947 0.82 MEN1 (0.53) KDM4ELMNAALDH1A1HTT
SCHEMBL4982061 0.81 HSP90AB1 (0.46) SMN1; SMN2HPGDKDM4EALOX15HSD17B10
SCHEMBL4976636 0.81 ACACB (0.47) SMN1; SMN2LMNAPKM
SCHEMBL4976933 0.81 PTPN11 (0.48) KDM4EALDH1A1

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 CYP2C9 1738/4885SMN1; SMN2 3880/4885HPGD 159/4885

“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.