SCHEMBL20224124

SCHEMBL20224124

CN1CCN(C(=O)c2ccc(C(C)(C)C)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
ALOX15 P16050 1/20 0.61
GRM5 P41594 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 3/20 0.53
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
STAT3 P40763 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 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
SCHEMBL12776418 0.88 ALDH1A1 (0.58) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL12775428 0.88 GRM5 (0.54) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL22601583 0.87 GRM5 (0.56) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL17207186 0.87 GRM5 (0.56) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL20249501 0.85 ALDH1A1 (0.54) HPGDALOX15POLBLMNAKMT2A
SCHEMBL20249215 0.84 HPGD (0.61) HPGDALOX15GRM5KCNH2LMNA
SCHEMBL17688887 0.84 SMN1; SMN2 (0.65) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL12776439 0.82 PLA2G7 (0.41) HPGDALOX15GRM5LMNAKMT2A
SCHEMBL5908983 0.80 GRM5 (0.58) HPGDALOX15GRM5KDM4EPOLB
SCHEMBL20249503 0.80 L3MBTL3 (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2020-09-08 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 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
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 US disclosed
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-06-07 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 (4 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 HPGD 1213/4885ALOX15 4046/4885GRM5 2334/4885
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK HPGD 1972/4885ALOX15 3825/4885GRM5 2720/4885
US-10766879-B2 Pyrimidine derivatives as kinase inhibitors and their therapeutical applications DCK, TK1, DTYMK HPGD 1681/4885ALOX15 3881/4885GRM5 2705/4885
US-20180155327-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK HPGD 1681/4885ALOX15 3881/4885GRM5 2705/4885

“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.