Sugi Predict

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SCHEMBL17897285

SCHEMBL17897285

CC(C)N1CCN(c2ccc(F)cc2)C[C@H]1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 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
SCHEMBL19003698 0.86 NOTUM (0.39) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL17897235 0.80 MAPT (0.43) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL15858970 0.80 MAPT (0.43) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL15857993 0.80 NOTUM (0.45) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL15858019 0.79 MAPT (0.42) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL19003696 0.79 MAPT (0.42) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL17897246 0.78 MAPT (0.41) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL17897293 0.77 MAPT (0.40) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL17897236 0.77 MAPT (0.40) NOTUMMAPTALDH1A1LMNAMAPK1
SCHEMBL18948534 0.77 NOTUM (0.42) NOTUMMAPTALDH1A1LMNAMAPK1

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
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 — — EP disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 — — US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 — — US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 — — 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-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 NOTUM 4642/4885MAPT 1836/4885ALDH1A1 879/4885

“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.