SCHEMBL20249231

SCHEMBL20249231

C[C@@H]1NCCN(c2ccc(C(C)(C)C)nc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 6/20 0.45
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 1/20 0.34
DPP4 P27487 1/20 0.32
OPRL1 P41146 1/20 0.32
MCHR1 Q99705 2/20 0.31
NR3C1 P04150 1/20 0.31
AKR1C3 P42330 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31

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
SCHEMBL20249225 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3ATMSIGMAR1
SCHEMBL20249377 0.92 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3ATMSIGMAR1
SCHEMBL20249450 0.84 IDH1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1DPP4
SCHEMBL20249454 0.84 IDH1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1DPP4
SCHEMBL20249438 0.84 IDH1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1DPP4
SCHEMBL18291715 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL18291688 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20037580 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ATMAKR1C3
SCHEMBL20249361 0.82 SIGMAR1 (0.33) SLC6A2SLC6A4SLC6A3SIGMAR1DPP4
SCHEMBL20038067 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ATMAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 SLC6A2 2659/4885SLC6A4 1825/4885SLC6A3 1635/4885

“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.