SCHEMBL6312667

SCHEMBL6312667

COc1ccc(-c2cnc(N)nc2Nc2cnc3ccccc3c2)cc1CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.40
IGF1R P08069 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALPL P05186 8/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL6315310 0.81 ADORA1 (0.45) ADORA1IGF1RLMNASMN1; SMN2MEN1
SCHEMBL6313033 0.77 ALPL (0.42) ADORA1IGF1RLMNASMN1; SMN2MEN1
SCHEMBL6312312 0.77 IGF1R (0.49) ADORA1IGF1RLMNASMN1; SMN2PIK3CA
SCHEMBL6318862 0.77 DHFR (0.56) ADORA1IGF1RPIK3CAKDM4EADORA2A
SCHEMBL6317900 0.75 IMPDH2 (0.52)
SCHEMBL6311387 0.75 IGF1R (0.47) IGF1RLMNASMN1; SMN2PIK3CAKDM4E
SCHEMBL6313704 0.74 IGF1R (0.59) IGF1RPIK3CA
SCHEMBL6318945 0.74 TNF (0.44) LMNASMN1; SMN2MEN1KMT2APIK3CA
SCHEMBL6313731 0.73 PIK3CA (0.41) ADORA1IGF1RKMT2APIK3CARAB9A
SCHEMBL6312244 0.73 CYP1A2 (0.52) ADORA1LMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT ADORA1 677/4885IGF1R 4054/4885LMNA 2198/4885

“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.