SCHEMBL15980667

SCHEMBL15980667

Cc1nc(C(C)C)ccc1-c1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
DRD1 P21728 1/20 0.38
GRM2 Q14416 1/20 0.37
F2RL3 Q96RI0 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
PDE2A O00408 3/20 0.33
MBOAT4 Q96T53 1/20 0.33
SCN5A Q14524 1/20 0.33
CRHR1 P34998 2/20 0.32
POLQ O75417 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGES O14684 1/20 0.32
PTGER4 P35408 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
SCHEMBL14851169 0.83 RAB9A (0.42) MAPTRAB9AALDH1A1GAADRD1
SCHEMBL15980657 0.75 PSMB5 (0.42) MAPTALDH1A1NPSR1ADORA1ADORA2A
SCHEMBL15980679 0.74 PDE3B (0.40) MAPTMEN1KMT2A
SCHEMBL15980662 0.73 KDM5B (0.36) ALDH1A1
SCHEMBL15730624 0.72 MKNK1 (0.49) MAPTRAB9AALDH1A1GAADRD1
SCHEMBL12248266 0.72 KDM4E (0.38) MAPTALDH1A1DRD1MBOAT4MEN1
SCHEMBL15980660 0.71 RXRA (0.42) RAB9AALDH1A1GAAMEN1NPC1
SCHEMBL15980659 0.70 SLC10A2 (0.53) MAPTRAB9AALDH1A1GAAADORA1
SCHEMBL15980670 0.70 KDM5B (0.38)
SCHEMBL15980680 0.69 CYP17A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK MAPT 3752/4885RAB9A 3653/4885ALDH1A1 3180/4885

“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.