SCHEMBL9970971

SCHEMBL9970971

CC(=O)c1cc(Cl)c(C)c(N2CCCC2O)c1-c1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GRM5 P41594 2/20 0.31
BACE1 P56817 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 3/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL9970967 0.89 HCRTR1 (0.35) GRM5CHRM3P2RX7
SCHEMBL19592817 0.83 SMYD3 (0.30)
SCHEMBL9928954 0.78 MEN1 (0.36) SMN1; SMN2P2RX7
SCHEMBL22047604 0.77 DRD2 (0.40)
SCHEMBL15621463 0.75 MAPK1 (0.34) SMN1; SMN2MAPK1P2RX7
SCHEMBL21517189 0.73 PIK3CD (0.35) CHRM3
SCHEMBL21517312 0.73 P2RX7 (0.34) HPGDSMN1; SMN2P2RX7
SCHEMBL9929035 0.72 MAPK1 (0.32) MAPK1
SCHEMBL2166032 0.72 MAPK1 (0.32) HPGDPOLBMAPK1
SCHEMBL9929195 0.70 POLB (0.33) TSHRPOLBMAPK1

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-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB HPGD 2502/4885SMN1; SMN2 2711/4885GRM5 1546/4885

“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.