SCHEMBL4338407

SCHEMBL4338407

Oc1ccccc1Oc1cccc(F)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 4/20 0.50
HTR1A P08908 3/20 0.50
AR P10275 1/20 0.47
SLC1A5 Q15758 1/20 0.43
TTR P02766 2/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
VEGFA P15692 1/20 0.40

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
SCHEMBL27447653 0.89 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6290334 0.86 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL8969033 0.86 AR (0.49) ARTTRUSP2KMT2ACA1
SCHEMBL6290645 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6290492 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6293111 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6290672 0.84 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6289276 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6289809 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5
SCHEMBL6290677 0.82 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HTR1ASLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
CN-1225456-C Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2005-11-02 CN disclosed
CN-1403438-A Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2003-03-19 CN 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 (3 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK SLC6A4 4620/4885SLC6A2 4582/4885SLC6A3 4564/4885
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A4 22/4885SLC6A2 16/4885SLC6A3 8/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SLC6A4 4620/4885SLC6A2 4582/4885SLC6A3 4564/4885

“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.