SCHEMBL15935408

SCHEMBL15935408

Cc1ccn(-c2cnc(C(F)(F)F)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
TDO2 P48775 1/20 0.39
HDAC4 P56524 1/20 0.36
NTRK1 P04629 1/20 0.33
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CXCR3 P49682 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
SCHEMBL15935031 0.81 HTT (0.46) HTTRAB9AMAPTNPC1ATM
SCHEMBL15923517 0.79 NPC1 (0.30) RAB9AMAPTNPC1
SCHEMBL18068143 0.78 DYRK3 (0.39) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL5007470 0.76 HTT (0.51) HTTRAB9AMAPTNPC1ATM
SCHEMBL26401548 0.76 HTT (0.50) HTTRAB9AMAPTNPC1ATM
SCHEMBL15935407 0.75 HTT (0.42) HTTRAB9AMAPTNPC1ATM
SCHEMBL15935029 0.73 CYP11B2 (0.42) HTTRAB9AMAPTNPC1ATM
SCHEMBL15935017 0.73 MAPT (0.53) HTTRAB9AMAPTNPC1ATM
SCHEMBL15832232 0.73 AR (0.46) HTTRAB9AMAPTNPC1ATM
SCHEMBL15837150 0.72 MAPT (0.39) HTTRAB9AMAPTNPC1ATM

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-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 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 (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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 HTT 1935/4885RAB9A 556/4885MAPT 4751/4885

“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.