SCHEMBL2376640

SCHEMBL2376640

Cc1c(Br)cccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HRH4 Q9H3N8 3/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL16344196 0.87 GAA (0.59) L3MBTL1KMT2ALMNAALDH1A1HTT
SCHEMBL5218099 0.85 ALDH1A1 (0.67) L3MBTL1HRH4KMT2ALMNAALDH1A1
SCHEMBL2377343 0.84 FNTA (0.47) KMT2ALMNAALDH1A1HTTMEN1
SCHEMBL14174296 0.84 HTT (0.58) L3MBTL1HRH4KMT2ALMNAALDH1A1
SCHEMBL2379156 0.84 CNR1 (0.51) HRH4KMT2ALMNAALDH1A1HTT
SCHEMBL2375485 0.83 ALDH1A1 (0.55) L3MBTL1KMT2ALMNAALDH1A1HTT
SCHEMBL20140025 0.82 ALDH1A1 (0.76) KMT2ALMNAALDH1A1HTTMEN1
SCHEMBL2378330 0.81 L3MBTL1 (0.55) L3MBTL1HRH4KMT2ALMNAALDH1A1
SCHEMBL3227317 0.81 L3MBTL1 (0.55) L3MBTL1HRH4KMT2ALMNAALDH1A1
SCHEMBL10722273 0.79 L3MBTL1 (0.74) L3MBTL1KMT2ALMNAALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 L3MBTL1 2077/4885HRH4 3336/4885KMT2A 2799/4885

“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.