SCHEMBL3138935

SCHEMBL3138935

O=C1CCCCc2sc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 4/20 0.32
PRKCI P41743 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2A6 P11509 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2432416 0.96 MAOA (0.35) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL23042702 0.88 PBRM1 (0.31) MAPK1
SCHEMBL18304962 0.74 CDC7 (0.44) TSHRALDH1A1MAPK1
SCHEMBL496280 0.72 MAOA (0.39) MEN1KMT2AMAOAMAOBALDH1A1
SCHEMBL11302021 0.72 MAOA (0.35) MEN1KMT2ATSHRMAOAMAOB
SCHEMBL13156892 0.72
SCHEMBL2776823 0.72 TSHR (0.47) MEN1KMT2ACYP2C19TSHRRAB9A
SCHEMBL15606074 0.72 MAOA (0.35) MEN1KMT2ACYP2C19RAB9AMAOA
SCHEMBL12665899 0.70 ALDH1A1 (0.48) MEN1KMT2ACYP2C19RAB9APOLB
SCHEMBL3140589 0.69 PTP4A3 (0.44) MEN1KMT2ARAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8546410-B2 Heteroaryl-fused macrocyclic pyrimidine derivatives ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-01-07 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 (3 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-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR MEN1 1385/4885KMT2A 1691/4885CYP2C19 481/4885
US-20100004256-A1 HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES CDK2, DPYD, CCNB1 MEN1 579/4885KMT2A 2254/4885CYP2C19 318/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR MEN1 1385/4885KMT2A 1691/4885CYP2C19 481/4885

“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.