SCHEMBL18412907

SCHEMBL18412907

CC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ P2RX7 Q99572 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL18394918 0.86 MAPK1 (0.51) MAPTALDH1A1
SCHEMBL18412908 0.78 KDM4E (0.41) PRKDCMAPTP2RX7ALDH1A1KCNH2
SCHEMBL18412909 0.77 MAPT (0.44) MAPTALDH1A1HPGDATM
SCHEMBL18412807 0.71 PRKDC (0.46) PRKDCMAPTALDH1A1ATM
SCHEMBL15167578 0.71 MAPT (0.48) MAPTHPGDHDAC11
SCHEMBL1476420 0.71 PRKDC (0.47) PRKDCMAPTALDH1A1KDM4E
SCHEMBL3081183 0.70 L3MBTL1 (0.59) MAPTALDH1A1
SCHEMBL18394819 0.68 TP53 (0.49) MAPTALDH1A1KDM4EHPGD
SCHEMBL3916605 0.67 SLC6A9 (0.79) —
SCHEMBL18412864 0.67 KCNH2 (0.43) ALDH1A1KCNH2KDM4EHPGDHDAC11

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — 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-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 PRKDC 4871/4885MAPT 2157/4885P2RX7 345/4885

“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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