SCHEMBL3629173

SCHEMBL3629173

CC(C)(C)CC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.70
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
LMNA P02545 1/20 0.69
CYP1A2 P05177 1/20 0.69
PKM P14618 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
BLM P54132 1/20 0.69
MTNR1A P48039 2/20 0.67
MMP9 P14780 1/20 0.66
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
CDK4 P11802 1/20 0.61
CCND1 P24385 1/20 0.61
SIRT1 Q96EB6 2/20 0.60

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
SCHEMBL761155 0.85 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL31114206 0.85 MTNR1A (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL761552 0.84 MEN1 (0.72) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL29399398 0.84 MEN1 (0.72) AANATMEN1KMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL3826492 0.84 MTNR1A (0.74) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL761481 0.84 MTNR1A (0.88) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL5903804 0.83 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL10069200 0.83 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7677886 0.83 MEN1 (0.84) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL14364790 0.83 CDK4 (0.54) AANATMEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968598-B1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2014-02-19 EP claimed
US-7713987-B2 Pyrimidine-2,4-diamines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-05-11 US claimed
EP-1968598-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-09-17 EP claimed
WO-2008088303-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL, PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20070129362-A1 Pyrimidine-2,4-diamines and their uses MIDCAP FINANCIAL TRUST 2007-06-07 US claimed
US-20070129360-A1 N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role PHAMIDIPATI SOMASEKHAR 2007-06-07 US claimed
EP-1968598-B1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2014-02-19 EP disclosed
US-7713987-B2 Pyrimidine-2,4-diamines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
EP-1968598-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2008-09-17 EP disclosed
WO-2008088303-A1 PYRIMIDINE-2,4-DIAMINES AND THEIR USES RIGEL, PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
US-20070129362-A1 Pyrimidine-2,4-diamines and their uses MIDCAP FINANCIAL TRUST 2007-06-07 US disclosed
US-20070129360-A1 N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role PHAMIDIPATI SOMASEKHAR 2007-06-07 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 (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-20070129360-A1 N2-Chlorocarbonyl-N4-(2,2-dimethyl-3-oxo-4H-5-pyrido[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine; kinase inhibitors; breast cancer; inhibiting signal transduction cascades in which Syk plays a role SYK, LYN, BTK AANAT 1949/4885MEN1 3405/4885KMT2A 1181/4885
US-20070129362-A1 Pyrimidine-2,4-diamines and their uses DCK, DPYD, DTYMK AANAT 1821/4885MEN1 2909/4885KMT2A 874/4885

“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.