SCHEMBL3452006

SCHEMBL3452006

CSc1ccc(Nc2cc(-c3ccccc3)nc(N3CCC(O)CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.53
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HRH1 P35367 2/20 0.43
HRH4 Q9H3N8 2/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
GALR2 O43603 1/20 0.43
GALR1 P47211 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL13127052 0.86 PIK3CA (0.55) PIK3CAMAPTTP53LMNAHRH1
SCHEMBL3451034 0.84 PIK3CA (0.51) PIK3CAMAPTTP53LMNAHRH1
SCHEMBL3452881 0.83 IDH2 (0.53) PIK3CAHPGDSMN1; SMN2
SCHEMBL3451124 0.81 HRH4 (0.44) MAPTLMNAHRH1HRH4POLB
SCHEMBL3451806 0.81 GALR2 (0.53) PIK3CAMAPTHPGDGALR2GALR1
SCHEMBL3450640 0.80 PIK3CA (0.51) PIK3CAMAPTLMNAPIK3CDPIK3CB
SCHEMBL3451519 0.79 GALR1 (0.63) PIK3CAMAPTPIK3CDPIK3CBPOLB
SCHEMBL3451672 0.79 KDM4E (0.49) PIK3CAMAPTTP53HRH1HRH4
SCHEMBL3451175 0.78 HPGD (0.56) PIK3CAMAPTTP53LMNAPOLB
SCHEMBL3452010 0.78 IDH2 (0.67) PIK3CAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed
US-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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-20060084645-A1 Novel pyrimidine compounds, process for their preparation and compositions containing them UMPS, DPYD, TYMS PIK3CA 231/4885MAPT 4276/4885TP53 1923/4885

“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.