Sugi Predict

Sugi Predict / Compounds / SCHEMBL15858970

SCHEMBL15858970

SCHEMBL15858970

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL17897235 1.00 MAPT (0.43) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL20159086 0.85 MAPT (0.42) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL24680910 0.84 KDM4E (0.37) MAPTALDH1A1KDM4E
SCHEMBL19003591 0.84 SLC6A9 (0.43) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17897288 0.84 SLC6A9 (0.43) NOTUMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL17897247 0.83 KDM4E (0.41) ALDH1A1MAPK1GFERNOTUMKDM4E
SCHEMBL19003675 0.83 KDM4E (0.41) ALDH1A1MAPK1GFERNOTUMKDM4E
SCHEMBL17897242 0.83 KDM4E (0.41) ALDH1A1MAPK1GFERNOTUMKDM4E
SCHEMBL19003696 0.83 MAPT (0.42) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL15858019 0.83 MAPT (0.42) MAPTLMNAALDH1A1MAPK1HTT

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 5 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
WO-2014101113-A1 PIPERAZINE-SUBSTITUTED 7-METHOXY-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2014-07-03 — — 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-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 MAPT 1836/4885LMNA 2932/4885ALDH1A1 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.