SCHEMBL11902403

SCHEMBL11902403

COc1nc(C(=O)NCC2(c3ccc(F)cc3)CCC2)cnc1-n1cnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
CACNA1G O43497 2/20 0.36
MAPK1 P28482 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
HTT P42858 1/20 0.35
SPR P35270 1/20 0.35

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
SCHEMBL11902884 0.97 P2RX7 (0.40) P2RX7MEN1KMT2AALDH1A1MAPK1
SCHEMBL11901871 0.90 P2RX7 (0.42) P2RX7MEN1KMT2AALDH1A1POLB
SCHEMBL11902243 0.90 MEN1 (0.48) P2RX7MEN1KMT2AALDH1A1POLB
SCHEMBL11901925 0.88 P2RX7 (0.41) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL6920278 0.87 ALDH1A1 (0.40) P2RX7MEN1KMT2AALDH1A1PSEN1
SCHEMBL6920222 0.87 PSEN1 (0.42) P2RX7MEN1KMT2AALDH1A1PSEN1
SCHEMBL11902225 0.83 PSEN1 (0.43) P2RX7MAPK1PSEN1PSEN2APH1B
SCHEMBL11902167 0.79 PSEN1 (0.46) P2RX7MEN1KMT2AALDH1A1MAPK1
SCHEMBL6919404 0.79 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902390 0.78 MAPK1 (0.42) P2RX7ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP P2RX7 2079/4885MEN1 2998/4885KMT2A 3212/4885

“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.