SCHEMBL1204182

SCHEMBL1204182

NC1CCC(N2CCCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 6/20 0.53
SIGMAR1 Q99720 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL3 Q96JM7 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
MBTD1 Q05BQ5 2/20 0.49
TP53BP1 Q12888 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL1204089 0.94 TRPV6 (0.58) TRPV6SIGMAR1RECQLSMN1; SMN2TSHR
SCHEMBL4797625 0.86 SIGMAR1 (0.69) TRPV6SIGMAR1RECQLSMN1; SMN2TSHR
SCHEMBL13943667 0.83 SIGMAR1 (0.64) TRPV6SIGMAR1RECQLSMN1; SMN2TSHR
SCHEMBL3285312 0.83 DRD2 (0.65) SIGMAR1RECQLSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL1206045 0.82 DRD2 (0.59) SIGMAR1RECQLSMN1; SMN2L3MBTL3TSHR
SCHEMBL5050001 0.82 L3MBTL3 (0.59) SIGMAR1RECQLSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL5052507 0.82 L3MBTL3 (0.59) SIGMAR1RECQLSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL2336883 0.82 KDM4E (0.65) TRPV6SIGMAR1RECQLSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL4324912 0.82 DRD2 (0.63) SIGMAR1RECQLSMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL4064552 0.81 SIGMAR1 (0.61) SIGMAR1TSHRMEN1ALDH1A1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
US-9493471-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2016-11-15 US disclosed
EP-2610256-B1 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LTD (GB) 2016-04-27 EP disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2015-12-03 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-9133199-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2015-09-15 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS TETHRA BIOSCIENCES INC. 2014-03-06 US disclosed
EP-2205603-B1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2014-01-15 EP disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
US-8563542-B2 Pyrimidine derivatives as protein kinase inhibitors CYCLACEL LIMITED (GB) 2013-10-22 US disclosed
EP-2610256-A1 Pyrimidine derivatives as protein kinase inhibitors Cyclacel Limited (GB) 2013-07-03 EP disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 US disclosed
US-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LIMITED (GB) 2011-02-24 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 (3 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-20110046093-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 TRPV6 3484/4885SIGMAR1 1497/4885RECQL 1373/4885
US-20140066436-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CDK7, CDK9, CDK8 TRPV6 3545/4885SIGMAR1 1403/4885RECQL 1192/4885
US-20150344486-A1 PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, DTYMK, TK1 TRPV6 4286/4885SIGMAR1 4621/4885RECQL 828/4885

“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.