SCHEMBL15944113

SCHEMBL15944113

Fc1ccccc1-c1nc(Cl)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
ADORA2A P29274 2/20 0.40
MBNL1 Q9NR56 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PIN1 Q13526 1/20 0.38
KMT2A Q03164 1/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
RPS6KA5 O75582 1/20 0.37
IDO1 P14902 1/20 0.37
ADORA1 P30542 1/20 0.37
APEX1 P27695 1/20 0.36
MPL P40238 1/20 0.36

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
SCHEMBL25551811 0.87 RPS6KA5 (0.47) NPC1MAPTADORA2AMBNL1L3MBTL1
SCHEMBL30036735 0.87 RPS6KA5 (0.47) NPC1MAPTADORA2AMBNL1L3MBTL1
SCHEMBL25552004 0.84 MBNL1 (0.51) NPC1MAPTADORA2AMBNL1PIN1
SCHEMBL18416746 0.84 MAPT (0.40) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL28774690 0.84 MAPT (0.40) NPC1MAPTADORA2AL3MBTL1PIN1
SCHEMBL25559456 0.84 NPC1 (0.40) NPC1MAPTADORA2AMBNL1L3MBTL1
SCHEMBL20448204 0.83 AR (0.36) NPC1MAPTL3MBTL1PIN1KMT2A
SCHEMBL1263981 0.81 RPS6KA5 (0.43) NPC1MAPTL3MBTL1KMT2ARPS6KA5
SCHEMBL7253389 0.80 ALDH1A1 (0.50) NPC1ADORA2AL3MBTL1PIN1ADORA1
SCHEMBL3758203 0.79 KDM4E (0.52) NPC1MAPTADORA2AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-9108926-B2 Disubstituted 5-fluoro-pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-18 US disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 US disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 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 (2 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-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP NPC1 635/4885MAPT 3731/4885ADORA2A 1033/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP NPC1 3274/4885MAPT 4755/4885ADORA2A 1304/4885

“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.