SCHEMBL12423317

SCHEMBL12423317

O=C(NCc1ccco1)c1ccc(-c2ccnc(Nc3cccc(Br)c3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
AKT3 Q9Y243 6/20 0.47
JAK2 O60674 1/20 0.46
SOS1 Q07889 1/20 0.45
CNR2 P34972 1/20 0.44
POLB P06746 3/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL13051331 0.89 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL12423675 0.85 AKT3 (0.46) ALDH1A1HPGDMEN1KMT2AAKT3
SCHEMBL12423699 0.83 JAK2 (0.63) ALDH1A1MAPTJAK2
SCHEMBL12423316 0.83 AKT3 (0.60) AKT3CNR2
SCHEMBL12423672 0.81 JAK2 (0.54) ALDH1A1HPGDAKT3JAK2SMN1; SMN2
SCHEMBL3097167 0.81 IKBKB (0.55) AKT3RAB9AKDM4EIKBKB
SCHEMBL12423674 0.79 JAK2 (0.44) ALDH1A1HPGDAKT3JAK2CNR2
SCHEMBL12423694 0.79 JAK2 (0.46) ALDH1A1HPGDAKT3JAK2CNR2
SCHEMBL12423346 0.79 AKT3 (0.49) AKT3CNR2MAPK1IKBKB
SCHEMBL12423313 0.76 HDAC3 (0.48) ALDH1A1AKT3L3MBTL1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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 (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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 ALDH1A1 4186/4885HPGD 3733/4885MEN1 4409/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 ALDH1A1 4186/4885HPGD 3733/4885MEN1 4409/4885

“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.