SCHEMBL19787601

SCHEMBL19787601

C[C@@H]1CN(c2ccc(F)cc2)c2nc(Cl)nc(Cl)c21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
PTGS2 P35354 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL19787602 1.00 APP (0.50) APPPTGS2SMN1; SMN2GRM5BRD4
SCHEMBL19787586 1.00 APP (0.50) APPPTGS2SMN1; SMN2GRM5BRD4
SCHEMBL21093628 0.71 CACNA1B (0.40)
SCHEMBL19787627 0.71 SMN1; SMN2 (0.53) APPSMN1; SMN2KDM4E
SCHEMBL30639135 0.71 SMN1; SMN2 (0.53) APPSMN1; SMN2KDM4E
SCHEMBL21273696 0.69 APP (0.50) APP
SCHEMBL21883180 0.65 PTGS2 (0.38) PTGS2HRH3
SCHEMBL21001348 0.62 SMN1; SMN2 (0.50) APPSMN1; SMN2KDM4E
SCHEMBL29801652 0.61 APP (0.54) APP
SCHEMBL19787521 0.61 APP (0.54) APP

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
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 US disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 US disclosed
WO-2018011164-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO 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-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 APP 1/4885PTGS2 803/4885SMN1; SMN2 1523/4885
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS APP 2/4885PTGS2 790/4885SMN1; SMN2 2364/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 APP 1/4885PTGS2 948/4885SMN1; SMN2 2483/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 APP 1/4885PTGS2 803/4885SMN1; SMN2 1523/4885

“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.