SCHEMBL16596147

SCHEMBL16596147

Cc1cc2cccc(F)c2c(=O)n1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
METAP2 P50579 1/20 0.40
MPI P34949 1/20 0.40
TGM2 P21980 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
MAPK14 Q16539 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL16596148 0.89 NOTUM (0.48) NOTUMFAAHMGLLMETAP2MPI
SCHEMBL16596150 0.88 PIK3CD (0.42) NOTUMLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL16596152 0.86 PIK3CD (0.47) NOTUMFAAHMGLLMETAP2MPI
SCHEMBL16591252 0.82 PIK3CD (0.44) NOTUMFAAHMGLLMETAP2MPI
SCHEMBL1550641 0.81 MAPK14 (0.47) LMNASMN1; SMN2MAPTMAPK14ALDH1A1
SCHEMBL16596822 0.79 CYP1A2 (0.41) NOTUMLMNAMAPK14ALDH1A1KDM4E
SCHEMBL16596184 0.77 PIK3CD (0.45) NOTUMMAPK14KDM4ENPSR1PIK3CB
SCHEMBL12660980 0.76 FAAH (0.55) NOTUMFAAHMGLLMETAP2MPI
SCHEMBL20404407 0.75 ESR1 (0.44) TGM2SMN1; SMN2ALDH1A1PIK3CBPIK3CG
SCHEMBL18708792 0.74 PIK3CD (0.41) NOTUMFAAHMGLLMETAP2MPI

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
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 US disclosed
US-9512114-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-06 US disclosed
US-20160318914-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2016-11-03 US disclosed
US-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 US disclosed
WO-2015042078-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 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 (2 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-20160318914-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 NOTUM 2338/4885FAAH 3934/4885MGLL 4209/4885
US-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 NOTUM 2338/4885FAAH 3934/4885MGLL 4209/4885

“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.