SCHEMBL17723485

SCHEMBL17723485

Cc1cc(F)ccc1CNc1nnc(C(C)C)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ CASP6 P55212 8/20 0.35
▸ MAP2K4 P45985 1/20 0.34
▸ STIM1 Q13586 1/20 0.34
▸ ORAI1 Q96D31 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ DHFR P00374 1/20 0.32

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
SCHEMBL17723423 0.82 CYP1A2 (0.31) —
SCHEMBL17723348 0.81 P2RX7 (0.37) P2RX7JAK3CASP6MAP2K4STIM1
SCHEMBL17723425 0.80 STIM1 (0.41) P2RX7JAK3STIM1ORAI1MAPT
SCHEMBL17723347 0.78 CCNE2 (0.36) KMT2A
SCHEMBL20021829 0.76 P2RX7 (0.39) P2RX7JAK3CASP6MAP2K4STIM1
SCHEMBL17723310 0.75 SOS1 (0.44) —
SCHEMBL17723326 0.75 SOS1 (0.44) —
SCHEMBL17723303 0.73 STIM1 (0.40) P2RX7JAK3CASP6STIM1ORAI1
SCHEMBL17723328 0.71 PSEN1 (0.31) —
SCHEMBL17723313 0.71 PSEN1 (0.31) —

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-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 — — US disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 — — US disclosed
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 — — US disclosed
WO-2016070107-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION (US) 2016-05-06 — — 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-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP P2RX7 3590/4885JAK3 4792/4885CASP6 1431/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP P2RX7 3476/4885JAK3 4196/4885CASP6 1237/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP P2RX7 3590/4885JAK3 4792/4885CASP6 1431/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP P2RX7 3476/4885JAK3 4196/4885CASP6 1237/4885

“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.

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